N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide

C22H20ClN3O — CID 109170889

IUPACN-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccnc(N2CCCc3ccccc32)c1
InChIInChI=1S/C22H20ClN3O/c23-19-9-7-16(8-10-19)15-25-22(27)18-11-12-24-21(14-18)26-13-3-5-17-4-1-2-6-20(17)26/h1-2,4,6-12,14H,3,5,13,15H2,(H,25,27)
InChIKeyVBINEARTWSVDKF-UHFFFAOYSA-N
MW377.88 g/mol
LogP4.75
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide (PubChem CID 109170889) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide
PubChem CID109170889
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide
SMILESO=C(NCc1ccc(Cl)cc1)c1ccnc(N2CCCc3ccccc32)c1
InChIInChI=1S/C22H20ClN3O/c23-19-9-7-16(8-10-19)15-25-22(27)18-11-12-24-21(14-18)26-13-3-5-17-4-1-2-6-20(17)26/h1-2,4,6-12,14H,3,5,13,15H2,(H,25,27)
InChIKeyVBINEARTWSVDKF-UHFFFAOYSA-N
XLogP4.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dihydro-2H-quinolin-1-yl)-N-[(2-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 109171028
2-(2,3-dihydroindol-1-yl)-N-[2-(4-fluorophenyl)ethyl]pyridine-4-carboxamide
CID 109172612
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[(4-fluorophenyl)methyl]pyrimidine-4-carboxamide
CID 109348421
N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168916
2-(2,3-dihydroindol-1-yl)-N-(2-hydroxypropyl)pyridine-4-carboxamide
CID 84574120
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-hydroxyethyl)-N-methylpyridine-4-carboxamide
CID 84574490
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121417
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109176466
[4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-3-pyridinyl]methylcarbamoyl]-2-formylphenyl]boronic acid
CID 166432569
2-(3,4-dihydro-2H-quinolin-1-yl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109176563
2-N-benzyl-4-N-[(4-chlorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109085399
2-(3,4-dihydro-2H-quinolin-1-yl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109176550

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide (CID 109170889) is N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide is O=C(NCc1ccc(Cl)cc1)c1ccnc(N2CCCc3ccccc32)c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide?
The InChIKey is VBINEARTWSVDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c23-19-9-7-16(8-10-19)15-25-22(27)18-11-12-24-21(14-18)26-13-3-5-17-4-1-2-6-20(17)26/h1-2,4,6-12,14H,3,5,13,15H2,(H,25,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide has a molecular weight of 377.88 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(3,4-dihydro-2H-quinolin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109170889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).