N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide

C21H26N6O2 — CID 110264273

IUPACN-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N2CCCC(c3ccc(C(=O)NCC4CC4)cn3)C2)cn1
InChIInChI=1S/C21H26N6O2/c1-22-21-25-11-17(12-26-21)20(29)27-8-2-3-16(13-27)18-7-6-15(10-23-18)19(28)24-9-14-4-5-14/h6-7,10-12,14,16H,2-5,8-9,13H2,1H3,(H,24,28)(H,22,25,26)
InChIKeyVMVNGKCSGGQYLP-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.07
Rot. Bonds6

About N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide

N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 110264273) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
PubChem CID110264273
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC NameN-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
SMILESCNc1ncc(C(=O)N2CCCC(c3ccc(C(=O)NCC4CC4)cn3)C2)cn1
InChIInChI=1S/C21H26N6O2/c1-22-21-25-11-17(12-26-21)20(29)27-8-2-3-16(13-27)18-7-6-15(10-23-18)19(28)24-9-14-4-5-14/h6-7,10-12,14,16H,2-5,8-9,13H2,1H3,(H,24,28)(H,22,25,26)
InChIKeyVMVNGKCSGGQYLP-UHFFFAOYSA-N
XLogP2.07
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(cyclopropylmethyl)-6-[(3S)-1-(1-methyl-6-oxopyridine-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 95834318
N,N-dimethyl-6-[(3S)-1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide
CID 95834324
N-(cyclopropylmethyl)-6-[1-(3-ethylimidazole-4-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 110264282
N-(cyclopropylmethyl)-6-[(3R)-1-(3-ethylimidazole-4-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92621900
N-(cyclopropylmethyl)-6-[1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 110264271
N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
CID 92621550
N-(cyclopropylmethyl)-6-[1-[3-[(3S)-3-methylpiperidin-1-yl]propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 95834350
1-[3-[5-(pyrrolidine-1-carbonyl)-2-pyridinyl]piperidin-1-yl]ethanone
CID 110090089
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918
6-[(3S)-1-[2-(1-hydroxycyclohexyl)acetyl]piperidin-3-yl]-N-methylpyridine-3-carboxamide
CID 92621905
N-methyl-6-[(3S)-1-(2-methyl-4,5,6,7-tetrahydroindazole-3-carbonyl)piperidin-3-yl]pyridine-3-carboxamide
CID 92621895
[6-[(3S)-1-(2-ethylpyrazole-3-carbonyl)piperidin-3-yl]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 92621580

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide (CID 110264273) is N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide is CNc1ncc(C(=O)N2CCCC(c3ccc(C(=O)NCC4CC4)cn3)C2)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide?
The InChIKey is VMVNGKCSGGQYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-22-21-25-11-17(12-26-21)20(29)27-8-2-3-16(13-27)18-7-6-15(10-23-18)19(28)24-9-14-4-5-14/h6-7,10-12,14,16H,2-5,8-9,13H2,1H3,(H,24,28)(H,22,25,26).
What are the key properties of N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide?
N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 394.48 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-[1-[2-(methylamino)pyrimidine-5-carbonyl]piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 110264273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).