1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C21H29N7O — CID 56872617

IUPAC1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESNc1nccc(N2CCC(N3CCCC(C(=O)NCc4ccccn4)C3)CC2)n1
InChIInChI=1S/C21H29N7O/c22-21-24-10-6-19(26-21)27-12-7-18(8-13-27)28-11-3-4-16(15-28)20(29)25-14-17-5-1-2-9-23-17/h1-2,5-6,9-10,16,18H,3-4,7-8,11-15H2,(H,25,29)(H2,22,24,26)
InChIKeyYNCXVNCXPUIVLR-UHFFFAOYSA-N
MW395.51 g/mol
LogP1.45
Rot. Bonds5

About 1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 56872617) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID56872617
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESNc1nccc(N2CCC(N3CCCC(C(=O)NCc4ccccn4)C3)CC2)n1
InChIInChI=1S/C21H29N7O/c22-21-24-10-6-19(26-21)27-12-7-18(8-13-27)28-11-3-4-16(15-28)20(29)25-14-17-5-1-2-9-23-17/h1-2,5-6,9-10,16,18H,3-4,7-8,11-15H2,(H,25,29)(H2,22,24,26)
InChIKeyYNCXVNCXPUIVLR-UHFFFAOYSA-N
XLogP1.45
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-(1-pyrazin-2-ylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95555076
(3R)-1-[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96580711
(3S)-1-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96575243
(3S)-1-[1-[4-(methylamino)pyrimidin-2-yl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96582322
(3R)-1-[1-(3-aminopropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95563492
(3S)-1-[1-(pyridine-2-carbonyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579721
1-[1-(2-methylpropanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 56869421
(3R)-1-[1-(2,2-difluoroethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 95556400
(3S)-1-[1-(furan-2-ylmethyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 25289818
propyl 4-[(3R)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]piperidine-1-carboxylate
CID 95543017
(3R)-1-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96577754
(3S)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96571119

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 56872617) is 1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is Nc1nccc(N2CCC(N3CCCC(C(=O)NCc4ccccn4)C3)CC2)n1.
What is the InChIKey of 1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is YNCXVNCXPUIVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c22-21-24-10-6-19(26-21)27-12-7-18(8-13-27)28-11-3-4-16(15-28)20(29)25-14-17-5-1-2-9-23-17/h1-2,5-6,9-10,16,18H,3-4,7-8,11-15H2,(H,25,29)(H2,22,24,26).
What are the key properties of 1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminopyrimidin-4-yl)piperidin-4-yl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 56872617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).