4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide

C25H36N8O2 — CID 155682209

IUPAC4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide
SMILESCC(=O)N1CCC(c2cc(Nc3nc(N4CCC[C@H](N)C4)ncc3C(N)=O)cc(C(C)C)n2)CC1
InChIInChI=1S/C25H36N8O2/c1-15(2)21-11-19(12-22(30-21)17-6-9-32(10-7-17)16(3)34)29-24-20(23(27)35)13-28-25(31-24)33-8-4-5-18(26)14-33/h11-13,15,17-18H,4-10,14,26H2,1-3H3,(H2,27,35)(H,28,29,30,31)/t18-/m0/s1
InChIKeyPJMNNUQGPIDVOS-SFHVURJKSA-N
MW480.62 g/mol
LogP2.49
Rot. Bonds6

About 4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide

4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide (PubChem CID 155682209) has the molecular formula C25H36N8O2 and a molecular weight of 480.62 g/mol. Its IUPAC name is 4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide
PubChem CID155682209
Molecular FormulaC25H36N8O2
Molecular Weight480.62 g/mol
Exact Mass480.30
IUPAC Name4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide
SMILESCC(=O)N1CCC(c2cc(Nc3nc(N4CCC[C@H](N)C4)ncc3C(N)=O)cc(C(C)C)n2)CC1
InChIInChI=1S/C25H36N8O2/c1-15(2)21-11-19(12-22(30-21)17-6-9-32(10-7-17)16(3)34)29-24-20(23(27)35)13-28-25(31-24)33-8-4-5-18(26)14-33/h11-13,15,17-18H,4-10,14,26H2,1-3H3,(H2,27,35)(H,28,29,30,31)/t18-/m0/s1
InChIKeyPJMNNUQGPIDVOS-SFHVURJKSA-N
XLogP2.49
TPSA143.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.62
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

Prt-060318
CID 11493841
2-[(3S)-3-aminopiperidin-1-yl]-4-[[2,6-di(propan-2-yl)-4-pyridinyl]amino]pyrimidine-5-carboxamide
CID 145946080
Dalpiciclib
CID 86279927
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108892
2-cyano-4-(cyclohexylamino)-N-{2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108902
2-cyano-4-[(2,2-dimethylpropyl)amino]-N-{2-[3-(4-methylpiperazin-1-yl)phenyl]ethyl}pyrimidine-5-carboxamide
CID 16108904
8-cyclopentyl-6-methyl-2-{[5-(piperazin-1-yl)pyridin-2-yl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330267
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (4-cyclopropylcarbamoyl-pyridin-3-yl)-amide
CID 54760568
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (4-cyclobutylcarbamoyl-pyridin-3-yl)-amide
CID 54760569
6-Cyclopropyl-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid [4-(3-oxo-piperazine-1-carbonyl)-pyridin-3-yl]-amide
CID 54760570
6-cyclopropyl-N-[4-(dimethylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760756
6-cyclopropyl-N-[4-(methylcarbamoyl)pyridin-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide
CID 54760757

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide?
The IUPAC name of 4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide (CID 155682209) is 4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide is CC(=O)N1CCC(c2cc(Nc3nc(N4CCC[C@H](N)C4)ncc3C(N)=O)cc(C(C)C)n2)CC1.
What is the InChIKey of 4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide?
The InChIKey is PJMNNUQGPIDVOS-SFHVURJKSA-N. The full InChI is InChI=1S/C25H36N8O2/c1-15(2)21-11-19(12-22(30-21)17-6-9-32(10-7-17)16(3)34)29-24-20(23(27)35)13-28-25(31-24)33-8-4-5-18(26)14-33/h11-13,15,17-18H,4-10,14,26H2,1-3H3,(H2,27,35)(H,28,29,30,31)/t18-/m0/s1.
What are the key properties of 4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide?
4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide has a molecular weight of 480.62 g/mol, XLogP of 2.49, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(1-acetylpiperidin-4-yl)-6-propan-2-yl-4-pyridinyl]amino]-2-[(3S)-3-aminopiperidin-1-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 155682209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).