4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide

C15H14BrN3O — CID 109201843

IUPAC4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2cccc(Br)c2)ccn1
InChIInChI=1S/C15H14BrN3O/c16-10-2-1-3-12(8-10)18-13-6-7-17-14(9-13)15(20)19-11-4-5-11/h1-3,6-9,11H,4-5H2,(H,17,18)(H,19,20)
InChIKeyQFWIQIHPLQXKNS-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.48
Rot. Bonds4

About 4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide

4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide (PubChem CID 109201843) has the molecular formula C15H14BrN3O and a molecular weight of 332.20 g/mol. Its IUPAC name is 4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide
PubChem CID109201843
Molecular FormulaC15H14BrN3O
Molecular Weight332.20 g/mol
Exact Mass331.03
IUPAC Name4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(NC1CC1)c1cc(Nc2cccc(Br)c2)ccn1
InChIInChI=1S/C15H14BrN3O/c16-10-2-1-3-12(8-10)18-13-6-7-17-14(9-13)15(20)19-11-4-5-11/h1-3,6-9,11H,4-5H2,(H,17,18)(H,19,20)
InChIKeyQFWIQIHPLQXKNS-UHFFFAOYSA-N
XLogP3.48
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(3-bromoanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109182312
4-(3-acetamidoanilino)-N-cycloheptylpyridine-2-carboxamide
CID 109217101
4-(4-acetylanilino)-N-cyclopropylpyridine-2-carboxamide
CID 109201823
5-(3-bromoanilino)-N-cyclopentylpyrazine-2-carboxamide
CID 109274039
N-cyclopropyl-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109201821
2-(3-bromoanilino)-N-cyclohexylpyridine-4-carboxamide
CID 109166315
4-(3-bromoanilino)-N-(oxolan-2-ylmethyl)pyridine-2-carboxamide
CID 109206875
4-(4-chloroanilino)-N-cyclopentylpyridine-2-carboxamide
CID 109204096
N-cyclopentyl-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109204081
N-cyclopentyl-4-(2-methylanilino)pyridine-2-carboxamide
CID 109204070
4-(methylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55042259
N-cyclopentyl-4-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109204088

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of 4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide (CID 109201843) is 4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for 4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for 4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide is O=C(NC1CC1)c1cc(Nc2cccc(Br)c2)ccn1.
What is the InChIKey of 4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is QFWIQIHPLQXKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3O/c16-10-2-1-3-12(8-10)18-13-6-7-17-14(9-13)15(20)19-11-4-5-11/h1-3,6-9,11H,4-5H2,(H,17,18)(H,19,20).
What are the key properties of 4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide?
4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide has a molecular weight of 332.20 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromoanilino)-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 109201843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).