N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide

C21H22ClN5O — CID 87021618

IUPACN-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nc2ccccc12
InChIInChI=1S/C21H22ClN5O/c1-14-17-4-2-3-5-18(17)25-20(24-14)13-27-10-8-15(9-11-27)21(28)26-19-7-6-16(22)12-23-19/h2-7,12,15H,8-11,13H2,1H3,(H,23,26,28)
InChIKeyKUKLXDSMIDPCCX-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.84
Rot. Bonds4

About N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide (PubChem CID 87021618) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide
PubChem CID87021618
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC NameN-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide
SMILESCc1nc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nc2ccccc12
InChIInChI=1S/C21H22ClN5O/c1-14-17-4-2-3-5-18(17)25-20(24-14)13-27-10-8-15(9-11-27)21(28)26-19-7-6-16(22)12-23-19/h2-7,12,15H,8-11,13H2,1H3,(H,23,26,28)
InChIKeyKUKLXDSMIDPCCX-UHFFFAOYSA-N
XLogP3.84
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 55816063
1-benzyl-N-(5-chloro-2-pyridinyl)piperidine-3-carboxamide
CID 60565468
N-(5-chloro-2-pyridinyl)-1-[(1-ethylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 51104657
N-(5-chloro-2-pyridinyl)-1-[2-(diethylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78903847
2-(4-chlorophenyl)-1-[4-[(4-methylquinazolin-2-yl)methyl]piperazin-1-yl]ethanone
CID 87017628
4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
N-(5-chloro-2-pyridinyl)-1-(5-methyl-1,3-benzoxazol-2-yl)piperidine-4-carboxamide
CID 136525935
N-(5-chloro-2-pyridinyl)-1-[3-oxo-3-(1-phenylethylamino)propyl]piperidine-4-carboxamide
CID 56525511
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-3-yl]-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 10289015
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
1-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 55922959
1-(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55813120

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide (CID 87021618) is N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide is Cc1nc(CN2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nc2ccccc12.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide?
The InChIKey is KUKLXDSMIDPCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c1-14-17-4-2-3-5-18(17)25-20(24-14)13-27-10-8-15(9-11-27)21(28)26-19-7-6-16(22)12-23-19/h2-7,12,15H,8-11,13H2,1H3,(H,23,26,28).
What are the key properties of N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide?
N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide has a molecular weight of 395.89 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-1-[(4-methylquinazolin-2-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 87021618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).