4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide

C21H29N7O — CID 167266688

IUPAC4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Nc2ncc(C3CCN(CC4CCCC4)CC3)c(N)n2)ccn1
InChIInChI=1S/C21H29N7O/c22-19-17(15-6-9-28(10-7-15)13-14-3-1-2-4-14)12-25-21(27-19)26-16-5-8-24-18(11-16)20(23)29/h5,8,11-12,14-15H,1-4,6-7,9-10,13H2,(H2,23,29)(H3,22,24,25,26,27)
InChIKeySSYMEZJRIDYSCQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.67
Rot. Bonds6

About 4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide

4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide (PubChem CID 167266688) has the molecular formula C21H29N7O and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide
PubChem CID167266688
Molecular FormulaC21H29N7O
Molecular Weight395.51 g/mol
Exact Mass395.24
IUPAC Name4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide
SMILESNC(=O)c1cc(Nc2ncc(C3CCN(CC4CCCC4)CC3)c(N)n2)ccn1
InChIInChI=1S/C21H29N7O/c22-19-17(15-6-9-28(10-7-15)13-14-3-1-2-4-14)12-25-21(27-19)26-16-5-8-24-18(11-16)20(23)29/h5,8,11-12,14-15H,1-4,6-7,9-10,13H2,(H2,23,29)(H3,22,24,25,26,27)
InChIKeySSYMEZJRIDYSCQ-UHFFFAOYSA-N
XLogP2.67
TPSA123.05 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide with MolForge

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Related Compounds

5-[1-(cyclohexylmethyl)piperidin-4-yl]-2-N-(2-methoxy-4-pyridinyl)pyrimidine-2,4-diamine
CID 167267173
5-[1-(cyclopentylmethyl)piperidin-4-yl]-2-N-[2-(1,1-difluoroethyl)-4-pyridinyl]pyrimidine-2,4-diamine
CID 167267179
5-(1-cyclopentylpiperidin-4-yl)-2-N-(2-methyl-4-pyridinyl)pyrimidine-2,4-diamine
CID 165178069
2-N-(3-methoxyphenyl)-5-[1-(oxan-4-ylmethyl)piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266695
2-N-(2-chloro-4-pyridinyl)-5-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]pyrimidine-2,4-diamine
CID 167266686
[4-[4-amino-2-(4-fluoroanilino)pyrimidin-5-yl]piperidin-1-yl]-cyclopentylmethanone
CID 153365871
4-[[2-(3-bromoanilino)-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-4-yl]amino]cyclohexan-1-ol
CID 166510464
4-(3-cyclohexylpropanoylamino)pyridine-2-carboxamide
CID 175815050
4-[(1-cyclopentylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 154797079
4-[4-(cyclopentylmethyl)-3-oxopiperazin-1-yl]pyridine-2-carboxamide
CID 75509698
4-[[2-(4-cyclohexylanilino)quinazolin-6-yl]oxymethyl]pyridine-2-carboxamide
CID 91241125
5-cyclopropyl-2-N-(3-methylsulfanylphenyl)pyrimidine-2,4-diamine
CID 67156362

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The IUPAC name of 4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide (CID 167266688) is 4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The canonical SMILES for 4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide is NC(=O)c1cc(Nc2ncc(C3CCN(CC4CCCC4)CC3)c(N)n2)ccn1.
What is the InChIKey of 4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide?
The InChIKey is SSYMEZJRIDYSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N7O/c22-19-17(15-6-9-28(10-7-15)13-14-3-1-2-4-14)12-25-21(27-19)26-16-5-8-24-18(11-16)20(23)29/h5,8,11-12,14-15H,1-4,6-7,9-10,13H2,(H2,23,29)(H3,22,24,25,26,27).
What are the key properties of 4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide?
4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.67, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-amino-5-[1-(cyclopentylmethyl)piperidin-4-yl]pyrimidin-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 167266688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).