4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide

C16H15N7O2 — CID 156754807

IUPAC4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide
SMILESCn1c(=O)c(C#N)c(N2CCNC(C(N)=O)C2)c2nc(C#N)ccc21
InChIInChI=1S/C16H15N7O2/c1-22-12-3-2-9(6-17)21-13(12)14(10(7-18)16(22)25)23-5-4-20-11(8-23)15(19)24/h2-3,11,20H,4-5,8H2,1H3,(H2,19,24)
InChIKeyGEQOKAQFAHMIQS-UHFFFAOYSA-N
MW337.34 g/mol
LogP-1.06
Rot. Bonds2

About 4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide

4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide (PubChem CID 156754807) has the molecular formula C16H15N7O2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide.

Molecular Properties

Compound Name4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide
PubChem CID156754807
Molecular FormulaC16H15N7O2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide
SMILESCn1c(=O)c(C#N)c(N2CCNC(C(N)=O)C2)c2nc(C#N)ccc21
InChIInChI=1S/C16H15N7O2/c1-22-12-3-2-9(6-17)21-13(12)14(10(7-18)16(22)25)23-5-4-20-11(8-23)15(19)24/h2-3,11,20H,4-5,8H2,1H3,(H2,19,24)
InChIKeyGEQOKAQFAHMIQS-UHFFFAOYSA-N
XLogP-1.06
TPSA140.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

7-fluoro-5-methyl-8-[(3R)-3-methylpiperazin-1-yl]-6-oxo-1,5-naphthyridine-2-carbonitrile
CID 146466278
8-[4-[(2-hydroxyphenyl)methyl]piperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 151612324
propan-2-yl 1-[bis(4-fluorophenyl)methyl]-4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxylate
CID 146466219
8-[(3S)-4-[bis(4-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146466189
8-[(3R,4R)-4-[(4-fluorophenyl)methyl-methylamino]-3-methylpiperidin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 171904345
4-[1-[(2R,5S)-4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)-2,5-dimethylpiperazin-1-yl]ethyl]benzoic acid
CID 146466649
8-[(3R)-4-[(3,5-dimethylphenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146529826
8-[(3R)-4-[(3-fluorophenyl)-(4-fluorophenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146466256
8-[(3R)-4-[(4-tert-butylphenyl)methyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146466226
5-methyl-8-[(3R)-3-methyl-4-[(4-phenylphenyl)methyl]piperazin-1-yl]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146466046
8-[(3R)-4-[(4-fluorophenyl)-pyrimidin-5-ylmethyl]-3-methylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 146466697
5-methyl-8-[4-[(4-methylphenyl)-phenylmethyl]piperazin-1-yl]-6-oxo-1,5-naphthyridine-2,7-dicarbonitrile
CID 151107343

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide?
The IUPAC name of 4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide (CID 156754807) is 4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide.
What is the SMILES notation for 4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide?
The canonical SMILES for 4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide is Cn1c(=O)c(C#N)c(N2CCNC(C(N)=O)C2)c2nc(C#N)ccc21.
What is the InChIKey of 4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide?
The InChIKey is GEQOKAQFAHMIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O2/c1-22-12-3-2-9(6-17)21-13(12)14(10(7-18)16(22)25)23-5-4-20-11(8-23)15(19)24/h2-3,11,20H,4-5,8H2,1H3,(H2,19,24).
What are the key properties of 4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide?
4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide has a molecular weight of 337.34 g/mol, XLogP of -1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dicyano-1-methyl-2-oxo-1,5-naphthyridin-4-yl)piperazine-2-carboxamide is sourced from PubChem (CID 156754807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).