N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

C19H22N4O2 — CID 171556368

IUPACN-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESCN/C=C(\C)c1cc2cnc(NC(=O)C3CC3)cc2n(C2CC2)c1=O
InChIInChI=1S/C19H22N4O2/c1-11(9-20-2)15-7-13-10-21-17(22-18(24)12-3-4-12)8-16(13)23(19(15)25)14-5-6-14/h7-10,12,14,20H,3-6H2,1-2H3,(H,21,22,24)/b11-9+
InChIKeyFYLXZPUGUGMDAP-PKNBQFBNSA-N
MW338.41 g/mol
LogP2.66
Rot. Bonds5

About N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (PubChem CID 171556368) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
PubChem CID171556368
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESCN/C=C(\C)c1cc2cnc(NC(=O)C3CC3)cc2n(C2CC2)c1=O
InChIInChI=1S/C19H22N4O2/c1-11(9-20-2)15-7-13-10-21-17(22-18(24)12-3-4-12)8-16(13)23(19(15)25)14-5-6-14/h7-10,12,14,20H,3-6H2,1-2H3,(H,21,22,24)/b11-9+
InChIKeyFYLXZPUGUGMDAP-PKNBQFBNSA-N
XLogP2.66
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(2,4-dimethylphenyl)-1-methylpyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 170233143
N-[1-methyl-2-(1H-1,2,4-triazol-5-yl)pyrrolo[3,2-c]pyridin-6-yl]cyclopropanecarboxamide
CID 169097791
N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 166123675
N-[3-[2-[(1R)-1-hydroxybutyl]-4-methylpyrimidin-5-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 171556431
N-[4-methyl-5-(methylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 167023085
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
N-[1-methyl-3-[4-methyl-6-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 166123608
1-(2-hydroxy-2-methylpropyl)-N-[6-[(E)-1-[methyl(methylamino)amino]prop-1-en-2-yl]isoquinolin-3-yl]piperidine-4-carboxamide
CID 166702458
1-ethyl-7-(methylamino)-3-penta-2,4-dien-2-yl-1,6-naphthyridin-2-one
CID 123476129
N-[6-[(2E,4E)-5-(methylideneamino)-4-[(4-methylpiperazin-1-yl)methyl]penta-2,4-dien-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 138605031
N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555460
ethane;2-fluoro-N-[3-[(2Z,4E,6E)-5-fluoro-4,7-dimethyl-6-propanoylnona-2,4,6-trien-3-yl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171556410

Frequently Asked Questions

What is the IUPAC name of N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (CID 171556368) is N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is CN/C=C(\C)c1cc2cnc(NC(=O)C3CC3)cc2n(C2CC2)c1=O.
What is the InChIKey of N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The InChIKey is FYLXZPUGUGMDAP-PKNBQFBNSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-11(9-20-2)15-7-13-10-21-17(22-18(24)12-3-4-12)8-16(13)23(19(15)25)14-5-6-14/h7-10,12,14,20H,3-6H2,1-2H3,(H,21,22,24)/b11-9+.
What are the key properties of N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclopropyl-3-[(E)-1-(methylamino)prop-1-en-2-yl]-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171556368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).