N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide

C16H14BrClN2O — CID 60738184

IUPACN-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(c1ccc(Cl)nc1)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C16H14BrClN2O/c17-14-4-2-1-3-12(14)10-20(13-6-7-13)16(21)11-5-8-15(18)19-9-11/h1-5,8-9,13H,6-7,10H2
InChIKeyWNXAALRKBJZZQL-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.30
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide

N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide (PubChem CID 60738184) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide
PubChem CID60738184
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC NameN-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide
SMILESO=C(c1ccc(Cl)nc1)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C16H14BrClN2O/c17-14-4-2-1-3-12(14)10-20(13-6-7-13)16(21)11-5-8-15(18)19-9-11/h1-5,8-9,13H,6-7,10H2
InChIKeyWNXAALRKBJZZQL-UHFFFAOYSA-N
XLogP4.30
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
CID 60938975
N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide
CID 60737654
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 103803267
N-cyclopropyl-N-[(2,3-dichlorophenyl)methyl]pyridine-3-carboxamide
CID 154454654
N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide
CID 138027662
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
N-(4-tert-butylcyclohexyl)-N-[(6-chloro-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 87720740
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
6-chloro-N-methyl-N-(4-phenylcyclohexyl)pyridine-3-carboxamide
CID 134022024

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide (CID 60738184) is N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide is O=C(c1ccc(Cl)nc1)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is WNXAALRKBJZZQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-14-4-2-1-3-12(14)10-20(13-6-7-13)16(21)11-5-8-15(18)19-9-11/h1-5,8-9,13H,6-7,10H2.
What are the key properties of N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide?
N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 365.66 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 60738184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).