N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C21H20N4O3 — CID 170626940

IUPACN-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(CNc2ncc(C=O)c3cc(NC(=O)C4CC4)ncc23)cc1
InChIInChI=1S/C21H20N4O3/c1-28-16-6-2-13(3-7-16)9-23-20-18-11-22-19(25-21(27)14-4-5-14)8-17(18)15(12-26)10-24-20/h2-3,6-8,10-12,14H,4-5,9H2,1H3,(H,23,24)(H,22,25,27)
InChIKeyKABYUOKIXVIMSG-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.41
Rot. Bonds7

About N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170626940) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID170626940
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc(CNc2ncc(C=O)c3cc(NC(=O)C4CC4)ncc23)cc1
InChIInChI=1S/C21H20N4O3/c1-28-16-6-2-13(3-7-16)9-23-20-18-11-22-19(25-21(27)14-4-5-14)8-17(18)15(12-26)10-24-20/h2-3,6-8,10-12,14H,4-5,9H2,1H3,(H,23,24)(H,22,25,27)
InChIKeyKABYUOKIXVIMSG-UHFFFAOYSA-N
XLogP3.41
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
N-[8-(ethylamino)-5-(5-methoxy-1,3-benzoxazol-2-yl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626515
N-[5-(6-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170627223
N-[6-ethyl-5-[2-(5-methoxy-2-pyridinyl)ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677955
N-[5-[2-[4-(fluoromethoxy)phenyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677930
N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 178122855
N-[5-methyl-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626822
N-[6-[2-(4-methoxyphenyl)ethylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042762
N-[5-[5-(2-methoxyethoxy)-1,3-benzoxazol-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626779
methyl N-[5-[(4-methoxyphenyl)methylamino]-2-pyridinyl]carbamate
CID 113027448
N-[5-bromo-1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 177360111
N-[5-(6-cyclopropyloxy-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626878

Frequently Asked Questions

What is the IUPAC name of N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170626940) is N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is COc1ccc(CNc2ncc(C=O)c3cc(NC(=O)C4CC4)ncc23)cc1.
What is the InChIKey of N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is KABYUOKIXVIMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-28-16-6-2-13(3-7-16)9-23-20-18-11-22-19(25-21(27)14-4-5-14)8-17(18)15(12-26)10-24-20/h2-3,6-8,10-12,14H,4-5,9H2,1H3,(H,23,24)(H,22,25,27).
What are the key properties of N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 376.42 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-formyl-8-[(4-methoxyphenyl)methylamino]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170626940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).