N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C21H19N5O — CID 177212968

IUPACN-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ccc(C#Cc2cnc(C)c3cnc(NC(=O)C4CC4)cc23)nc1
InChIInChI=1S/C21H19N5O/c1-13-19-12-25-20(26-21(27)14-3-4-14)9-18(19)15(10-23-13)5-6-16-7-8-17(22-2)11-24-16/h7-12,14,22H,3-4H2,1-2H3,(H,25,26,27)
InChIKeyRNFPJYHVEDRJIS-UHFFFAOYSA-N
MW357.42 g/mol
LogP3.12
Rot. Bonds3

About N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 177212968) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID177212968
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCNc1ccc(C#Cc2cnc(C)c3cnc(NC(=O)C4CC4)cc23)nc1
InChIInChI=1S/C21H19N5O/c1-13-19-12-25-20(26-21(27)14-3-4-14)9-18(19)15(10-23-13)5-6-16-7-8-17(22-2)11-24-16/h7-12,14,22H,3-4H2,1-2H3,(H,25,26,27)
InChIKeyRNFPJYHVEDRJIS-UHFFFAOYSA-N
XLogP3.12
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[2-(5-hydroxy-2-pyridinyl)ethynyl]-8-methyl-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177212890
N-[5-[2-[5-(difluoromethyl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677537
N-[5-[2-[5-(difluoromethoxy)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170678144
N-[5-[2-[5-(3-fluoroazetidin-1-yl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121927
N-[5-[2-[5-(1-cyanoethyl)-2-pyridinyl]ethynyl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122011
N-[8-(methylamino)-5-[2-(5-pyrazol-1-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170677939
N-[8-methyl-5-[2-[5-[(5R)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177212732
N-[8-methyl-5-[2-[5-[(5S)-8-oxo-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177212893
N-[8-(methylamino)-5-[2-[5-(1,2,4-triazol-4-ylmethyl)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121846
cis-(1R,2R)-2-fluoro-N-[8-methyl-5-[2-(5-morpholin-4-yl-2-pyridinyl)ethynyl]-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 177212781
N-[8-methyl-5-[2-[4-morpholin-4-yl-5-[[(3S)-oxolan-3-yl]amino]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 177212829
N-[8-(methylamino)-5-[2-[5-[(7-methyl-3,7-diazabicyclo[3.3.1]nonan-3-yl)methyl]-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178121692

Frequently Asked Questions

What is the IUPAC name of N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 177212968) is N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ccc(C#Cc2cnc(C)c3cnc(NC(=O)C4CC4)cc23)nc1.
What is the InChIKey of N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is RNFPJYHVEDRJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-13-19-12-25-20(26-21(27)14-3-4-14)9-18(19)15(10-23-13)5-6-16-7-8-17(22-2)11-24-16/h7-12,14,22H,3-4H2,1-2H3,(H,25,26,27).
What are the key properties of N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 357.42 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-methyl-5-[2-[5-(methylamino)-2-pyridinyl]ethynyl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 177212968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).