4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide

C23H23N7O2 — CID 123782016

IUPAC4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide
SMILESCn1ccc2cc(Nc3cnccn3)nc(NCCCc3ccc(C(N)=O)cc3)c2c1=O
InChIInChI=1S/C23H23N7O2/c1-30-12-8-17-13-18(28-19-14-25-10-11-26-19)29-22(20(17)23(30)32)27-9-2-3-15-4-6-16(7-5-15)21(24)31/h4-8,10-14H,2-3,9H2,1H3,(H2,24,31)(H2,26,27,28,29)
InChIKeyHXEILPFEIOPGIA-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.61
Rot. Bonds8

About 4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide

4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide (PubChem CID 123782016) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide.

Molecular Properties

Compound Name4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide
PubChem CID123782016
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide
SMILESCn1ccc2cc(Nc3cnccn3)nc(NCCCc3ccc(C(N)=O)cc3)c2c1=O
InChIInChI=1S/C23H23N7O2/c1-30-12-8-17-13-18(28-19-14-25-10-11-26-19)29-22(20(17)23(30)32)27-9-2-3-15-4-6-16(7-5-15)21(24)31/h4-8,10-14H,2-3,9H2,1H3,(H2,24,31)(H2,26,27,28,29)
InChIKeyHXEILPFEIOPGIA-UHFFFAOYSA-N
XLogP2.61
TPSA127.82 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]benzamide
CID 66925499
2-ethyl-8-(5-hydroxypentylamino)-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
CID 123944018
8-(tert-butylamino)-2-propyl-6-(pyrazin-2-ylamino)-2,7-naphthyridin-1-one
CID 58167056
8-(2-hydroxypropylamino)-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 76691772
8-[[(1S,3R)-3-(hydroxymethyl)cyclopentyl]amino]-6-(pyrazin-2-ylamino)-2-(trideuteriomethyl)-2,7-naphthyridin-1-one
CID 58166970
8-[(1-hydroxy-2-methylpropan-2-yl)amino]-2-methyl-6-[(4-methyl-2-pyridinyl)amino]-2,7-naphthyridin-1-one
CID 50925036
3-[(3,7-dimethyl-8-oxo-2,7-naphthyridin-1-yl)amino]benzamide
CID 123849295
2-[[1-(tert-butylamino)-7-(2-hydroxyethyl)-8-oxo-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxylic acid
CID 58166803
1-methyl-2-oxo-N-pyrazin-2-ylpyridine-4-carboxamide
CID 113221321
1-methylpyrrolo[2,3-b]pyridine-5-carboxamide
CID 141014223
1-[1-[2-[2-(4-fluorophenyl)ethylamino]-6-(pyrazin-2-ylamino)pyrimidin-4-yl]azetidin-3-yl]piperidin-4-ol
CID 140571285
8-amino-2-methyl-6-[(6-oxo-1H-pyrimidin-2-yl)amino]-2,7-naphthyridin-1-one
CID 70791800

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide?
The IUPAC name of 4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide (CID 123782016) is 4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide.
What is the SMILES notation for 4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide?
The canonical SMILES for 4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide is Cn1ccc2cc(Nc3cnccn3)nc(NCCCc3ccc(C(N)=O)cc3)c2c1=O.
What is the InChIKey of 4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide?
The InChIKey is HXEILPFEIOPGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-30-12-8-17-13-18(28-19-14-25-10-11-26-19)29-22(20(17)23(30)32)27-9-2-3-15-4-6-16(7-5-15)21(24)31/h4-8,10-14H,2-3,9H2,1H3,(H2,24,31)(H2,26,27,28,29).
What are the key properties of 4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide?
4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 2.61, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[7-methyl-8-oxo-3-(pyrazin-2-ylamino)-2,7-naphthyridin-1-yl]amino]propyl]benzamide is sourced from PubChem (CID 123782016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).