2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide

C17H16N6O2 — CID 58167290

IUPAC2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Nc2cc3cc[nH]c(=O)c3c(NC3CC3)n2)c1
InChIInChI=1S/C17H16N6O2/c18-15(24)10-4-5-19-12(8-10)22-13-7-9-3-6-20-17(25)14(9)16(23-13)21-11-1-2-11/h3-8,11H,1-2H2,(H2,18,24)(H,20,25)(H2,19,21,22,23)
InChIKeyGDXUVLKFVDLPNS-UHFFFAOYSA-N
MW336.36 g/mol
LogP1.73
Rot. Bonds5

About 2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide

2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide (PubChem CID 58167290) has the molecular formula C17H16N6O2 and a molecular weight of 336.36 g/mol. Its IUPAC name is 2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide
PubChem CID58167290
Molecular FormulaC17H16N6O2
Molecular Weight336.36 g/mol
Exact Mass336.13
IUPAC Name2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide
SMILESNC(=O)c1ccnc(Nc2cc3cc[nH]c(=O)c3c(NC3CC3)n2)c1
InChIInChI=1S/C17H16N6O2/c18-15(24)10-4-5-19-12(8-10)22-13-7-9-3-6-20-17(25)14(9)16(23-13)21-11-1-2-11/h3-8,11H,1-2H2,(H2,18,24)(H,20,25)(H2,19,21,22,23)
InChIKeyGDXUVLKFVDLPNS-UHFFFAOYSA-N
XLogP1.73
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

8-(oxolan-3-ylamino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 58167200
8-(cyclohexylmethylamino)-6-[(4-methyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one
CID 58166852
6-[(4-chloro-2-pyridinyl)amino]-8-(propan-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 58166928
6-[(4-methyl-2-pyridinyl)amino]-8-(piperidin-4-ylmethylamino)-2H-2,7-naphthyridin-1-one
CID 66925452
6-[(4-chloro-2-pyridinyl)amino]-2-[2-(dimethylamino)ethyl]-8-[(4-hydroxycyclohexyl)amino]-2,7-naphthyridin-1-one
CID 58167403
1-oxo-2H-isoquinoline-6-carboxamide
CID 22175306
2-(methylamino)pyridine-4-carboxamide
CID 45084294
8-[4-[2-(4-ethylpiperazin-1-yl)ethyl]anilino]-6-[(4-ethyl-2-pyridinyl)amino]-2H-2,7-naphthyridin-1-one
CID 58166701
8-(4-morpholin-4-ylanilino)-6-(pyridin-2-ylamino)-2H-2,7-naphthyridin-1-one
CID 50925324
6-[[1-(4-morpholin-4-ylanilino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-3-carboxylic acid
CID 123798843
9-[(Z)-1-amino-3-methyliminoprop-1-en-2-yl]-6-(cyclopropylamino)-2H-benzo[c][1,6]naphthyridin-1-one
CID 145475411
2-(cyclopropylamino)-N-methylpyridine-4-carboxamide
CID 130666257

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide?
The IUPAC name of 2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide (CID 58167290) is 2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide?
The canonical SMILES for 2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide is NC(=O)c1ccnc(Nc2cc3cc[nH]c(=O)c3c(NC3CC3)n2)c1.
What is the InChIKey of 2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide?
The InChIKey is GDXUVLKFVDLPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N6O2/c18-15(24)10-4-5-19-12(8-10)22-13-7-9-3-6-20-17(25)14(9)16(23-13)21-11-1-2-11/h3-8,11H,1-2H2,(H2,18,24)(H,20,25)(H2,19,21,22,23).
What are the key properties of 2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide?
2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide has a molecular weight of 336.36 g/mol, XLogP of 1.73, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(cyclopropylamino)-8-oxo-7H-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 58167290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).