3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide

C45H60N16O6 — CID 158254577

IUPAC3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
SMILESNC(=O)c1nnc(N2CCC[C@@H](N)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1.NC(=O)c1nnc(N2CCC[C@@H](NC3CCCC3)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H34N8O3.C20H26N8O3/c26-22(34)21-23(28-19-9-7-17(8-10-19)24(35)32-12-14-36-15-13-32)29-25(31-30-21)33-11-3-6-20(16-33)27-18-4-1-2-5-18;21-14-2-1-7-28(12-14)20-24-18(16(17(22)29)25-26-20)23-15-5-3-13(4-6-15)19(30)27-8-10-31-11-9-27/h7-10,18,20,27H,1-6,11-16H2,(H2,26,34)(H,28,29,31);3-6,14H,1-2,7-12,21H2,(H2,22,29)(H,23,24,26)/t20-;14-/m11/s1
InChIKeyGHCVNOFBBZFRAU-VVMLIRAMSA-N
MW921.08 g/mol
LogP1.80
Rot. Bonds12

About 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide

3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide (PubChem CID 158254577) has the molecular formula C45H60N16O6 and a molecular weight of 921.08 g/mol. Its IUPAC name is 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide.

Molecular Properties

Compound Name3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
PubChem CID158254577
Molecular FormulaC45H60N16O6
Molecular Weight921.08 g/mol
Exact Mass920.49
IUPAC Name3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
SMILESNC(=O)c1nnc(N2CCC[C@@H](N)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1.NC(=O)c1nnc(N2CCC[C@@H](NC3CCCC3)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1
InChIInChI=1S/C25H34N8O3.C20H26N8O3/c26-22(34)21-23(28-19-9-7-17(8-10-19)24(35)32-12-14-36-15-13-32)29-25(31-30-21)33-11-3-6-20(16-33)27-18-4-1-2-5-18;21-14-2-1-7-28(12-14)20-24-18(16(17(22)29)25-26-20)23-15-5-3-13(4-6-15)19(30)27-8-10-31-11-9-27/h7-10,18,20,27H,1-6,11-16H2,(H2,26,34)(H,28,29,31);3-6,14H,1-2,7-12,21H2,(H2,22,29)(H,23,24,26)/t20-;14-/m11/s1
InChIKeyGHCVNOFBBZFRAU-VVMLIRAMSA-N
XLogP1.80
TPSA291.19 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.08
LogP ≤ 51.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide with MolForge

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Related Compounds

3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;5-[4-(morpholine-4-carbonyl)anilino]-3-[(3R)-3-(pyrimidine-2-carbonylamino)piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 159269421
3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboximidamide
CID 150340963
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-[(4-methoxybenzoyl)amino]piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 159456829
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;N-[(3R)-1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]-4-methyl-1,3-thiazole-2-carboxamide
CID 158305792
3-[(3R)-3-(dimethylcarbamoylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 118114736
3-[3-(4-methoxyanilino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide
CID 118143269
5-[4-(morpholine-4-carbonyl)anilino]-3-[(3R)-3-[4-(trifluoromethyl)anilino]piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 118143113
5-[4-(morpholine-4-carbonyl)anilino]-3-[(3S)-3-[(4-propan-2-ylpiperidine-1-carbonyl)amino]piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 138504232
5-[4-(morpholine-4-carbonyl)anilino]-3-[(3R)-3-(pyridin-3-ylmethylamino)piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 118143279
5-[4-(morpholine-4-carbonyl)anilino]-3-[(3R)-3-(4-propoxyanilino)piperidin-1-yl]-1,2,4-triazine-6-carboxamide
CID 118143200
N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
CID 118115009
5-[4-(morpholine-4-carbonyl)anilino]-3-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]-1,2,4-triazine-6-carboximidamide
CID 150799064

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide?
The IUPAC name of 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide (CID 158254577) is 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide.
What is the SMILES notation for 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide?
The canonical SMILES for 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide is NC(=O)c1nnc(N2CCC[C@@H](N)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1.NC(=O)c1nnc(N2CCC[C@@H](NC3CCCC3)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1.
What is the InChIKey of 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide?
The InChIKey is GHCVNOFBBZFRAU-VVMLIRAMSA-N. The full InChI is InChI=1S/C25H34N8O3.C20H26N8O3/c26-22(34)21-23(28-19-9-7-17(8-10-19)24(35)32-12-14-36-15-13-32)29-25(31-30-21)33-11-3-6-20(16-33)27-18-4-1-2-5-18;21-14-2-1-7-28(12-14)20-24-18(16(17(22)29)25-26-20)23-15-5-3-13(4-6-15)19(30)27-8-10-31-11-9-27/h7-10,18,20,27H,1-6,11-16H2,(H2,26,34)(H,28,29,31);3-6,14H,1-2,7-12,21H2,(H2,22,29)(H,23,24,26)/t20-;14-/m11/s1.
What are the key properties of 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide?
3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide has a molecular weight of 921.08 g/mol, XLogP of 1.80, 12 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-aminopiperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide;3-[(3R)-3-(cyclopentylamino)piperidin-1-yl]-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazine-6-carboxamide is sourced from PubChem (CID 158254577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).