N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide

C17H19ClN4O2 — CID 72661282

IUPACN-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1cncc(-c2cc(NC(=O)C3CCCNC3)ncc2Cl)c1
InChIInChI=1S/C17H19ClN4O2/c1-24-13-5-12(8-20-9-13)14-6-16(21-10-15(14)18)22-17(23)11-3-2-4-19-7-11/h5-6,8-11,19H,2-4,7H2,1H3,(H,21,22,23)
InChIKeyAHXAKLVMUXRSED-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.74
Rot. Bonds4

About N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide

N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 72661282) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
PubChem CID72661282
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC NameN-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide
SMILESCOc1cncc(-c2cc(NC(=O)C3CCCNC3)ncc2Cl)c1
InChIInChI=1S/C17H19ClN4O2/c1-24-13-5-12(8-20-9-13)14-6-16(21-10-15(14)18)22-17(23)11-3-2-4-19-7-11/h5-6,8-11,19H,2-4,7H2,1H3,(H,21,22,23)
InChIKeyAHXAKLVMUXRSED-UHFFFAOYSA-N
XLogP2.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[5-chloro-4-[6-(oxan-4-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 67033459
(3R)-N-[5-chloro-4-[3-[(4-hydroxy-4-methylcyclohexyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90412692
N-[5-chloro-4-[6-(pyridin-2-ylmethylamino)pyrazin-2-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 77407686
N-[5-chloro-4-[3-[(4-fluorophenyl)methyl]benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 140653411
(3R)-N-[5-chloro-4-[6-(pyridin-4-ylmethylamino)-2-pyridinyl]-2-pyridinyl]piperidine-3-carboxamide
CID 67221821
N-pyrazin-2-ylpiperidine-3-carboxamide
CID 43616168
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
(3R)-N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 86299078
N-[5-chloro-4-[3-(2-pyridin-3-ylethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 140653382
(3R)-N-[5-chloro-4-[3-[(4-methylsulfonylphenyl)methyl]benzotriazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90416192
N-(5-chloro-2,4-dimethoxyphenyl)piperidine-3-carboxamide;hydrochloride
CID 119265918
(3R)-N-[5-chloro-4-[6-chloro-3-(oxan-4-ylmethyl)benzimidazol-5-yl]-2-pyridinyl]piperidine-3-carboxamide
CID 90413200

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide (CID 72661282) is N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide is COc1cncc(-c2cc(NC(=O)C3CCCNC3)ncc2Cl)c1.
What is the InChIKey of N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is AHXAKLVMUXRSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c1-24-13-5-12(8-20-9-13)14-6-16(21-10-15(14)18)22-17(23)11-3-2-4-19-7-11/h5-6,8-11,19H,2-4,7H2,1H3,(H,21,22,23).
What are the key properties of N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide?
N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 72661282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).