5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid

C17H11Cl2N3O3 — CID 71283341

IUPAC5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid
SMILESCc1nccc(C(=O)Nc2cc(C(=O)O)cc3cc(Cl)cc(Cl)c23)n1
InChIInChI=1S/C17H11Cl2N3O3/c1-8-20-3-2-13(21-8)16(23)22-14-6-10(17(24)25)4-9-5-11(18)7-12(19)15(9)14/h2-7H,1H3,(H,22,23)(H,24,25)
InChIKeyYSYNGAJCLAFDSR-UHFFFAOYSA-N
MW376.20 g/mol
LogP4.20
Rot. Bonds3

About 5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid

5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid (PubChem CID 71283341) has the molecular formula C17H11Cl2N3O3 and a molecular weight of 376.20 g/mol. Its IUPAC name is 5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid
PubChem CID71283341
Molecular FormulaC17H11Cl2N3O3
Molecular Weight376.20 g/mol
Exact Mass375.02
IUPAC Name5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid
SMILESCc1nccc(C(=O)Nc2cc(C(=O)O)cc3cc(Cl)cc(Cl)c23)n1
InChIInChI=1S/C17H11Cl2N3O3/c1-8-20-3-2-13(21-8)16(23)22-14-6-10(17(24)25)4-9-5-11(18)7-12(19)15(9)14/h2-7H,1H3,(H,22,23)(H,24,25)
InChIKeyYSYNGAJCLAFDSR-UHFFFAOYSA-N
XLogP4.20
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-methylpyrimidine-4-carboxamide
CID 47255494
2,4-dimethyl-5-[(2-methylpyrimidine-4-carbonyl)amino]benzoic acid
CID 146127196
N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 47255119
2-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 47255120
N-(2-chlorophenyl)-4-methylpyridine-2-carboxamide
CID 110858745
2-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 47255196
2-methyl-N-[2-(2-phenylethoxy)phenyl]pyrimidine-4-carboxamide
CID 51122601
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47061417
N-[2-[(2-chlorobenzoyl)amino]ethyl]-2-methylpyrimidine-4-carboxamide
CID 47049468
6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453105
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
N-[2,6-di(propan-2-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 60547417

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid?
The IUPAC name of 5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid (CID 71283341) is 5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid.
What is the SMILES notation for 5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid?
The canonical SMILES for 5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid is Cc1nccc(C(=O)Nc2cc(C(=O)O)cc3cc(Cl)cc(Cl)c23)n1.
What is the InChIKey of 5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid?
The InChIKey is YSYNGAJCLAFDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O3/c1-8-20-3-2-13(21-8)16(23)22-14-6-10(17(24)25)4-9-5-11(18)7-12(19)15(9)14/h2-7H,1H3,(H,22,23)(H,24,25).
What are the key properties of 5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid?
5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid has a molecular weight of 376.20 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-4-[(2-methylpyrimidine-4-carbonyl)amino]naphthalene-2-carboxylic acid is sourced from PubChem (CID 71283341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).