N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide

C16H14BrClN2O — CID 60737654

IUPACN-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(c1cc(Cl)ccn1)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C16H14BrClN2O/c17-14-4-2-1-3-11(14)10-20(13-5-6-13)16(21)15-9-12(18)7-8-19-15/h1-4,7-9,13H,5-6,10H2
InChIKeyWBGVKWFFKSFKDA-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.30
Rot. Bonds4

About N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide

N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide (PubChem CID 60737654) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide
PubChem CID60737654
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC NameN-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide
SMILESO=C(c1cc(Cl)ccn1)N(Cc1ccccc1Br)C1CC1
InChIInChI=1S/C16H14BrClN2O/c17-14-4-2-1-3-11(14)10-20(13-5-6-13)16(21)15-9-12(18)7-8-19-15/h1-4,7-9,13H,5-6,10H2
InChIKeyWBGVKWFFKSFKDA-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

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Related Compounds

N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 60738184
4-chloro-N-cyclopropyl-N-propylpyridine-2-carboxamide
CID 43270432
N-[(2-bromophenyl)methyl]-N-cyclopropylcarbamoyl chloride
CID 172520075
4-amino-N-[(2-bromophenyl)methyl]-N-cyclopropylbenzamide
CID 60938975
4-chloro-N-(2-cyanoethyl)-N-cyclopropylpyridine-2-carboxamide
CID 61053675
N-[(2-bromophenyl)methyl]-2-chloro-N-cyclopropylacetamide
CID 60756148
4-chloro-N-cyclobutyl-N-(3-hydroxypropyl)pyridine-2-carboxamide
CID 102861506
4-chloro-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyridine-2-carboxamide
CID 86920890
4-[(2-bromophenyl)methyl-cyclopropylamino]-4-oxobutanoic acid
CID 54875215
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 122140934
N-[(2-bromophenyl)methyl]-N-cyclopropyl-4-hydroxybutanamide
CID 79201119
5-chloro-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyrazine-2-carboxamide
CID 103803267

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide (CID 60737654) is N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide is O=C(c1cc(Cl)ccn1)N(Cc1ccccc1Br)C1CC1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide?
The InChIKey is WBGVKWFFKSFKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-14-4-2-1-3-11(14)10-20(13-5-6-13)16(21)15-9-12(18)7-8-19-15/h1-4,7-9,13H,5-6,10H2.
What are the key properties of N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-carboxamide?
N-[(2-bromophenyl)methyl]-4-chloro-N-cyclopropylpyridine-2-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]-4-chloro-N-cyclopropylpyridine-2-carboxamide is sourced from PubChem (CID 60737654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).