N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

C21H23N5O2 — CID 171555714

IUPACN-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCCC(=O)C1N=CC(c2cc3cnc(NC(=O)C4CC4)cc3cn2)=C(C)N1
InChIInChI=1S/C21H23N5O2/c1-3-4-18(27)20-24-11-16(12(2)25-20)17-7-14-10-23-19(8-15(14)9-22-17)26-21(28)13-5-6-13/h7-11,13,20,25H,3-6H2,1-2H3,(H,23,26,28)
InChIKeyKTQIDAKMDZBNEF-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.08
Rot. Bonds6

About N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 171555714) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID171555714
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC NameN-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCCCC(=O)C1N=CC(c2cc3cnc(NC(=O)C4CC4)cc3cn2)=C(C)N1
InChIInChI=1S/C21H23N5O2/c1-3-4-18(27)20-24-11-16(12(2)25-20)17-7-14-10-23-19(8-15(14)9-22-17)26-21(28)13-5-6-13/h7-11,13,20,25H,3-6H2,1-2H3,(H,23,26,28)
InChIKeyKTQIDAKMDZBNEF-UHFFFAOYSA-N
XLogP3.08
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555163
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 171556020
N-[4-methyl-5-(methylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 167023085
N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 1452755
N-[7-(4-fluoro-5-hydroxy-2-methylphenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974850
4-hexyl-N-isoquinolin-3-ylcyclohexane-1-carboxamide
CID 3603758
N-[7-(2-amino-4-methylpyrimidin-5-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 71115252
N-[6-(butanoylamino)-4-methyl-3-pyridinyl]cyclohexanecarboxamide
CID 1452762
N-[7-(1H-indazol-6-yl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 57410850
N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171556154
N-[7-[6-(3-hydroxypropyl)-4-methyl-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 67974995

Frequently Asked Questions

What is the IUPAC name of N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 171555714) is N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is CCCC(=O)C1N=CC(c2cc3cnc(NC(=O)C4CC4)cc3cn2)=C(C)N1.
What is the InChIKey of N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is KTQIDAKMDZBNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-3-4-18(27)20-24-11-16(12(2)25-20)17-7-14-10-23-19(8-15(14)9-22-17)26-21(28)13-5-6-13/h7-11,13,20,25H,3-6H2,1-2H3,(H,23,26,28).
What are the key properties of N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171555714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).