cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide

C23H22N4O3 — CID 171556020

IUPACcis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
SMILESCCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@@H]4C[C@H]4C=O)cc3cn2)cn1
InChIInChI=1S/C23H22N4O3/c1-3-4-21(29)20-5-13(2)18(11-25-20)19-7-14-10-26-22(8-15(14)9-24-19)27-23(30)17-6-16(17)12-28/h5,7-12,16-17H,3-4,6H2,1-2H3,(H,26,27,30)/t16-,17+/m0/s1
InChIKeyZCEVXFCJMYXCDD-DLBZAZTESA-N
MW402.45 g/mol
LogP3.76
Rot. Bonds7

About cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide

cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide (PubChem CID 171556020) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
PubChem CID171556020
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Namecis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
SMILESCCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@@H]4C[C@H]4C=O)cc3cn2)cn1
InChIInChI=1S/C23H22N4O3/c1-3-4-21(29)20-5-13(2)18(11-25-20)19-7-14-10-26-22(8-15(14)9-24-19)27-23(30)17-6-16(17)12-28/h5,7-12,16-17H,3-4,6H2,1-2H3,(H,26,27,30)/t16-,17+/m0/s1
InChIKeyZCEVXFCJMYXCDD-DLBZAZTESA-N
XLogP3.76
TPSA101.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

cis-(1R,2R)-N-[4-(6-butanoyl-4-methyl-3-pyridinyl)-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-yl]-2-fluorocyclopropane-1-carboxamide
CID 175997937
cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 139469052
N-[7-[6-[(1S)-1-hydroxypropyl]-4-methyl-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555163
(2S)-2-fluoro-N-[7-[4-methyl-6-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]-3-pyridinyl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 71128099
cis-(1R,2R)-2-fluoro-N-[3-[6-(4-fluorobutanoyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171556510
N-[5-[(Z)-2-aminoethenyl]-7-(4-methyl-6-propanoyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 170967852
cis-(1R,2R)-2-fluoro-N-[4-(4-methyl-6-propanoyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]cyclopropane-1-carboxamide
CID 170967989
(1R)-N-[6-cyano-7-(4-methyl-6-propanoyl-3-pyridinyl)isoquinolin-3-yl]-2,2-difluorocyclopropane-1-carboxamide
CID 171556269
N-[4-(6-butanoyl-4-methyl-3-pyridinyl)imidazo[1,2-a][1,6]naphthyridin-8-yl]acetamide
CID 170967948
cis-(1R,2R)-2-formyl-N-[4-[2-methoxy-3-(1-methyl-1,2,4-triazol-3-yl)anilino]-5-propanoyl-2-pyridinyl]cyclopropane-1-carboxamide
CID 170209250
(1R)-2,2-difluoro-N-[1-methyl-3-(4-methyl-6-propanoyl-3-pyridinyl)-2-oxo-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 166123829
N-[3-[6-(2-methoxyacetyl)-4-methyl-3-pyridinyl]-1-methyl-2-oxo-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
CID 166123675

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide (CID 171556020) is cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide is CCCC(=O)c1cc(C)c(-c2cc3cnc(NC(=O)[C@@H]4C[C@H]4C=O)cc3cn2)cn1.
What is the InChIKey of cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide?
The InChIKey is ZCEVXFCJMYXCDD-DLBZAZTESA-N. The full InChI is InChI=1S/C23H22N4O3/c1-3-4-21(29)20-5-13(2)18(11-25-20)19-7-14-10-26-22(8-15(14)9-24-19)27-23(30)17-6-16(17)12-28/h5,7-12,16-17H,3-4,6H2,1-2H3,(H,26,27,30)/t16-,17+/m0/s1.
What are the key properties of cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide?
cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[7-(6-butanoyl-4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide is sourced from PubChem (CID 171556020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).