N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide

C14H17N3O — CID 110848504

IUPACN-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cc2cnccc2nc1C
InChIInChI=1S/C14H17N3O/c1-4-9(2)16-14(18)12-7-11-8-15-6-5-13(11)17-10(12)3/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyXINCVVSQHACGRJ-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.47
Rot. Bonds3

About N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide

N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide (PubChem CID 110848504) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide
PubChem CID110848504
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cc2cnccc2nc1C
InChIInChI=1S/C14H17N3O/c1-4-9(2)16-14(18)12-7-11-8-15-6-5-13(11)17-10(12)3/h5-9H,4H2,1-3H3,(H,16,18)
InChIKeyXINCVVSQHACGRJ-UHFFFAOYSA-N
XLogP2.47
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110859285
2,6-dimethyl-N-(1-pyrazol-1-ylpropan-2-yl)quinoline-3-carboxamide
CID 46991183
N-(3,4-dichlorophenyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110863992
2-methyl-N-(2-methylphenyl)-1,6-naphthyridine-3-carboxamide
CID 110856628
N-[(2S)-1-imidazol-1-ylpropan-2-yl]-2,6-dimethylquinoline-3-carboxamide
CID 94448585
N-(furan-2-ylmethyl)-2-methyl-1,6-naphthyridine-3-carboxamide
CID 110850532
N-[(2S)-butan-2-yl]-2,5-dimethylbenzamide
CID 925430
N-butan-2-yl-1,6-naphthyridin-2-amine
CID 167287552
N-(1-bromopropan-2-yl)-3-methylpyridine-4-carboxamide
CID 126977624
N,2-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1,6-naphthyridine-3-carboxamide
CID 29025025
7-methoxy-2-methyl-N-pentan-3-ylquinoline-3-carboxamide
CID 78829924
N-butan-2-ylquinoxaline-5-carboxamide
CID 110701330

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide (CID 110848504) is N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide is CCC(C)NC(=O)c1cc2cnccc2nc1C.
What is the InChIKey of N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide?
The InChIKey is XINCVVSQHACGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-4-9(2)16-14(18)12-7-11-8-15-6-5-13(11)17-10(12)3/h5-9H,4H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide?
N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methyl-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 110848504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).