N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide

C16H16ClN7O — CID 47066466

IUPACN-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C16H16ClN7O/c17-11-1-2-12(18-7-11)23-16(25)10-3-5-24(6-4-10)15-13-14(20-8-19-13)21-9-22-15/h1-2,7-10H,3-6H2,(H,18,23,25)(H,19,20,21,22)
InChIKeyNRICRWKXFCOTFW-UHFFFAOYSA-N
MW357.81 g/mol
LogP2.26
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide (PubChem CID 47066466) has the molecular formula C16H16ClN7O and a molecular weight of 357.81 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide
PubChem CID47066466
Molecular FormulaC16H16ClN7O
Molecular Weight357.81 g/mol
Exact Mass357.11
IUPAC NameN-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Cl)cn1)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C16H16ClN7O/c17-11-1-2-12(18-7-11)23-16(25)10-3-5-24(6-4-10)15-13-14(20-8-19-13)21-9-22-15/h1-2,7-10H,3-6H2,(H,18,23,25)(H,19,20,21,22)
InChIKeyNRICRWKXFCOTFW-UHFFFAOYSA-N
XLogP2.26
TPSA99.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.81
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide (CID 47066466) is N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide is O=C(Nc1ccc(Cl)cn1)C1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide?
The InChIKey is NRICRWKXFCOTFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN7O/c17-11-1-2-12(18-7-11)23-16(25)10-3-5-24(6-4-10)15-13-14(20-8-19-13)21-9-22-15/h1-2,7-10H,3-6H2,(H,18,23,25)(H,19,20,21,22).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide has a molecular weight of 357.81 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-(7H-purin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 47066466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).