5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide

C16H14BrClN2O — CID 41155829

IUPAC5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cncc(Br)c1
InChIInChI=1S/C16H14BrClN2O/c17-13-7-12(8-19-9-13)16(21)20-15(10-1-2-10)11-3-5-14(18)6-4-11/h3-10,15H,1-2H2,(H,20,21)/t15-/m0/s1
InChIKeyMIMWOWWXJNBBMB-HNNXBMFYSA-N
MW365.66 g/mol
LogP4.38
Rot. Bonds4

About 5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide

5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide (PubChem CID 41155829) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide
PubChem CID41155829
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide
SMILESO=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cncc(Br)c1
InChIInChI=1S/C16H14BrClN2O/c17-13-7-12(8-19-9-13)16(21)20-15(10-1-2-10)11-3-5-14(18)6-4-11/h3-10,15H,1-2H2,(H,20,21)/t15-/m0/s1
InChIKeyMIMWOWWXJNBBMB-HNNXBMFYSA-N
XLogP4.38
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)-cyclopropylmethyl]benzamide
CID 17494418
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]-2H-benzotriazole-5-carboxamide
CID 41198922
2-(4-chlorophenyl)-N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 51688261
3-chloro-N-[(4-chlorophenyl)-cyclopropylmethyl]-4,5-dimethoxybenzamide
CID 45353412
5-chloro-N-[cyclopropyl-(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 86975241
5-bromo-N-[2-(4-chlorophenyl)sulfanylethyl]pyridine-3-carboxamide
CID 27883856
N-(2-amino-1-cyclopentylethyl)-5-bromopyridine-3-carboxamide
CID 106737450
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 8590020
5-bromo-N-(3,5-dichlorophenyl)pyridine-3-carboxamide
CID 731484
N-[(R)-(4-chlorophenyl)-cyclopropylmethyl]furan-2-carboxamide
CID 40919026
5-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 2449849
5-bromo-N-[(4R)-6-chloro-3,4-dihydro-2H-thiochromen-4-yl]pyridine-3-carboxamide
CID 25400960

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide (CID 41155829) is 5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide is O=C(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide?
The InChIKey is MIMWOWWXJNBBMB-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c17-13-7-12(8-19-9-13)16(21)20-15(10-1-2-10)11-3-5-14(18)6-4-11/h3-10,15H,1-2H2,(H,20,21)/t15-/m0/s1.
What are the key properties of 5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide?
5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide has a molecular weight of 365.66 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(S)-(4-chlorophenyl)-cyclopropylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 41155829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).