N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide

C20H21N3O2 — CID 3440378

IUPACN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide
SMILESCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
InChIInChI=1S/C20H21N3O2/c1-3-10-23(20(25)18-6-4-5-9-21-18)13-16-12-15-11-14(2)7-8-17(15)22-19(16)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,24)
InChIKeyPBMMFACWLDDYAE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.28
Rot. Bonds5

About N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide

N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide (PubChem CID 3440378) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide
PubChem CID3440378
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide
SMILESCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1
InChIInChI=1S/C20H21N3O2/c1-3-10-23(20(25)18-6-4-5-9-21-18)13-16-12-15-11-14(2)7-8-17(15)22-19(16)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,24)
InChIKeyPBMMFACWLDDYAE-UHFFFAOYSA-N
XLogP3.28
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide?
The IUPAC name of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide (CID 3440378) is N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide?
The canonical SMILES for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide is CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccn1.
What is the InChIKey of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide?
The InChIKey is PBMMFACWLDDYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-10-23(20(25)18-6-4-5-9-21-18)13-16-12-15-11-14(2)7-8-17(15)22-19(16)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,22,24).
What are the key properties of N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide?
N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 3440378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).