3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide

C20H21N3O2 — CID 166091380

IUPAC3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccncc2CC2CC2)cc2c1NC(=O)CC2
InChIInChI=1S/C20H21N3O2/c1-12-8-16(10-14-4-5-18(24)23-19(12)14)22-20(25)17-6-7-21-11-15(17)9-13-2-3-13/h6-8,10-11,13H,2-5,9H2,1H3,(H,22,25)(H,23,24)
InChIKeyCPKLWLAEQTXFJG-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.48
Rot. Bonds4

About 3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide

3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide (PubChem CID 166091380) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide
PubChem CID166091380
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2ccncc2CC2CC2)cc2c1NC(=O)CC2
InChIInChI=1S/C20H21N3O2/c1-12-8-16(10-14-4-5-18(24)23-19(12)14)22-20(25)17-6-7-21-11-15(17)9-13-2-3-13/h6-8,10-11,13H,2-5,9H2,1H3,(H,22,25)(H,23,24)
InChIKeyCPKLWLAEQTXFJG-UHFFFAOYSA-N
XLogP3.48
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide?
The IUPAC name of 3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide (CID 166091380) is 3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide.
What is the SMILES notation for 3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide?
The canonical SMILES for 3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide is Cc1cc(NC(=O)c2ccncc2CC2CC2)cc2c1NC(=O)CC2.
What is the InChIKey of 3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide?
The InChIKey is CPKLWLAEQTXFJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-12-8-16(10-14-4-5-18(24)23-19(12)14)22-20(25)17-6-7-21-11-15(17)9-13-2-3-13/h6-8,10-11,13H,2-5,9H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide?
3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-N-(8-methyl-2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyridine-4-carboxamide is sourced from PubChem (CID 166091380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).