(3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C17H18ClN7O — CID 40920875

IUPAC(3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1CCCN(c2nc(Cl)nc3nc[nH]c23)C1
InChIInChI=1S/C17H18ClN7O/c18-17-23-14-13(21-10-22-14)15(24-17)25-6-2-4-12(9-25)16(26)20-8-11-3-1-5-19-7-11/h1,3,5,7,10,12H,2,4,6,8-9H2,(H,20,26)(H,21,22,23,24)/t12-/m1/s1
InChIKeyGLMPLHIYDWMCCP-GFCCVEGCSA-N
MW371.83 g/mol
LogP1.93
Rot. Bonds4

About (3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 40920875) has the molecular formula C17H18ClN7O and a molecular weight of 371.83 g/mol. Its IUPAC name is (3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID40920875
Molecular FormulaC17H18ClN7O
Molecular Weight371.83 g/mol
Exact Mass371.13
IUPAC Name(3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1)[C@@H]1CCCN(c2nc(Cl)nc3nc[nH]c23)C1
InChIInChI=1S/C17H18ClN7O/c18-17-23-14-13(21-10-22-14)15(24-17)25-6-2-4-12(9-25)16(26)20-8-11-3-1-5-19-7-11/h1,3,5,7,10,12H,2,4,6,8-9H2,(H,20,26)(H,21,22,23,24)/t12-/m1/s1
InChIKeyGLMPLHIYDWMCCP-GFCCVEGCSA-N
XLogP1.93
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70755941
N-(pyridin-3-ylmethyl)-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121070949
1-[2-(2-chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 53086065
(3R)-1-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95115108
(3S)-N-(pyridin-3-ylmethyl)-1-(2,5,6-trimethylfuro[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 92866408
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-(2-chloro-4-pyridinyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453933
1-(2-piperidin-1-ylpyrimidin-5-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 53146183
N-(pyridin-3-ylmethyl)-1-(1-pyrimidin-2-ylpiperidin-4-yl)piperidine-3-carboxamide
CID 56868752
(3S)-1-(6-methoxypyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 97496309
(3S)-1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 39047918

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 40920875) is (3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccnc1)[C@@H]1CCCN(c2nc(Cl)nc3nc[nH]c23)C1.
What is the InChIKey of (3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is GLMPLHIYDWMCCP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClN7O/c18-17-23-14-13(21-10-22-14)15(24-17)25-6-2-4-12(9-25)16(26)20-8-11-3-1-5-19-7-11/h1,3,5,7,10,12H,2,4,6,8-9H2,(H,20,26)(H,21,22,23,24)/t12-/m1/s1.
What are the key properties of (3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 371.83 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chloro-7H-purin-6-yl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 40920875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).