N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide

C15H12BrN7O3 — CID 166349956

IUPACN-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1[nH]ncc1NC(=O)c1cnc2ncc(Br)cc2c1
InChIInChI=1S/C15H12BrN7O3/c16-9-2-7-1-8(3-18-13(7)19-4-9)14(25)22-10-5-21-23-12(10)15(26)20-6-11(17)24/h1-5H,6H2,(H2,17,24)(H,20,26)(H,21,23)(H,22,25)
InChIKeyZWTAGSGVDCLNPC-UHFFFAOYSA-N
MW418.21 g/mol
LogP0.58
Rot. Bonds5

About N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide

N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide (PubChem CID 166349956) has the molecular formula C15H12BrN7O3 and a molecular weight of 418.21 g/mol. Its IUPAC name is N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide
PubChem CID166349956
Molecular FormulaC15H12BrN7O3
Molecular Weight418.21 g/mol
Exact Mass417.02
IUPAC NameN-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide
SMILESNC(=O)CNC(=O)c1[nH]ncc1NC(=O)c1cnc2ncc(Br)cc2c1
InChIInChI=1S/C15H12BrN7O3/c16-9-2-7-1-8(3-18-13(7)19-4-9)14(25)22-10-5-21-23-12(10)15(26)20-6-11(17)24/h1-5H,6H2,(H2,17,24)(H,20,26)(H,21,23)(H,22,25)
InChIKeyZWTAGSGVDCLNPC-UHFFFAOYSA-N
XLogP0.58
TPSA155.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.21
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-5-methyl-1H-indazole-7-carboxamide
CID 167971765
N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-2-bromo-[1,2,4]triazolo[1,5-a]pyridine-6-carboxamide
CID 167761150
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
N-(2-amino-2-oxoethyl)-5,6-dibromopyridine-3-carboxamide
CID 131080965
N-(2-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 158760114
4-bromo-N-(3-bromoquinolin-8-yl)benzamide
CID 116784626
4-[(5-bromofuran-2-carbonyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide
CID 68987669
N-(2-cyanoethyl)-4-[(4-methylbenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 68991326
4-[(3-cyanobenzoyl)amino]-N-(2-cyanoethyl)-1H-pyrazole-5-carboxamide
CID 68990628
N-(3-bromoquinolin-8-yl)-6-chloropyridine-3-carboxamide
CID 116783827
N-[2-(2-amino-2-oxoethyl)phenyl]-5-bromopyridine-3-carboxamide
CID 47166830
N-(2-amino-2-oxoethyl)-5-bromo-1,3-thiazole-2-carboxamide
CID 86807707

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide (CID 166349956) is N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide is NC(=O)CNC(=O)c1[nH]ncc1NC(=O)c1cnc2ncc(Br)cc2c1.
What is the InChIKey of N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide?
The InChIKey is ZWTAGSGVDCLNPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN7O3/c16-9-2-7-1-8(3-18-13(7)19-4-9)14(25)22-10-5-21-23-12(10)15(26)20-6-11(17)24/h1-5H,6H2,(H2,17,24)(H,20,26)(H,21,23)(H,22,25).
What are the key properties of N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide?
N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide has a molecular weight of 418.21 g/mol, XLogP of 0.58, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-amino-2-oxoethyl)carbamoyl]-1H-pyrazol-4-yl]-6-bromo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166349956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).