(3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

C21H27N7O — CID 124841348

IUPAC(3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCC(C)C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nnc2ccccn12
InChIInChI=1S/C21H27N7O/c1-15(2)13-17(19-26-25-18-8-3-4-12-28(18)19)24-20(29)16-7-5-11-27(14-16)21-22-9-6-10-23-21/h3-4,6,8-10,12,15-17H,5,7,11,13-14H2,1-2H3,(H,24,29)/t16-,17-/m1/s1
InChIKeyAHCWPALHGZFMDU-IAGOWNOFSA-N
MW393.50 g/mol
LogP2.64
Rot. Bonds6

About (3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide

(3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (PubChem CID 124841348) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is (3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
PubChem CID124841348
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name(3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
SMILESCC(C)C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nnc2ccccn12
InChIInChI=1S/C21H27N7O/c1-15(2)13-17(19-26-25-18-8-3-4-12-28(18)19)24-20(29)16-7-5-11-27(14-16)21-22-9-6-10-23-21/h3-4,6,8-10,12,15-17H,5,7,11,13-14H2,1-2H3,(H,24,29)/t16-,17-/m1/s1
InChIKeyAHCWPALHGZFMDU-IAGOWNOFSA-N
XLogP2.64
TPSA88.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide with MolForge

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Related Compounds

(3R)-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylbutyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94040496
(3R)-N-[(2S)-butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 7435435
(3S)-1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butylcarbamoyl]piperidine-3-carboxylic acid
CID 154786571
1-N,1-N-diethyl-4-N-[3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1,4-dicarboxamide
CID 55718713
N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 91639325
N-[1-[4-(propanoylamino)phenyl]ethyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 55655942
(3S)-N-[(2S)-4-(4-methoxyphenyl)butan-2-yl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 52508766
(3R)-N-phenyl-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 51443831
(3S)-N-[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 94042531
N-[2-methyl-1-(4-propylphenyl)propyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 42953350
1-(2-fluorophenyl)sulfonyl-N-[(1S)-3-methylsulfanyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-4-carboxamide
CID 23474207
1-pyrimidin-2-ylpiperidine-3-carboxylic acid;hydrochloride
CID 45075103

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide (CID 124841348) is (3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is CC(C)C[C@@H](NC(=O)[C@@H]1CCCN(c2ncccn2)C1)c1nnc2ccccn12.
What is the InChIKey of (3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
The InChIKey is AHCWPALHGZFMDU-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H27N7O/c1-15(2)13-17(19-26-25-18-8-3-4-12-28(18)19)24-20(29)16-7-5-11-27(14-16)21-22-9-6-10-23-21/h3-4,6,8-10,12,15-17H,5,7,11,13-14H2,1-2H3,(H,24,29)/t16-,17-/m1/s1.
What are the key properties of (3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide?
(3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide has a molecular weight of 393.50 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(1R)-3-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butyl]-1-pyrimidin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124841348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).