5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide

C16H15BrN2O2 — CID 62954767

IUPAC5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
SMILESO=C(c1ccc(Br)cn1)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H15BrN2O2/c17-12-4-7-15(18-9-12)16(21)19(13-5-6-13)10-11-2-1-3-14(20)8-11/h1-4,7-9,13,20H,5-6,10H2
InChIKeyGIHWHTCNGQTTFM-UHFFFAOYSA-N
MW347.21 g/mol
LogP3.35
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide

5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide (PubChem CID 62954767) has the molecular formula C16H15BrN2O2 and a molecular weight of 347.21 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
PubChem CID62954767
Molecular FormulaC16H15BrN2O2
Molecular Weight347.21 g/mol
Exact Mass346.03
IUPAC Name5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
SMILESO=C(c1ccc(Br)cn1)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C16H15BrN2O2/c17-12-4-7-15(18-9-12)16(21)19(13-5-6-13)10-11-2-1-3-14(20)8-11/h1-4,7-9,13,20H,5-6,10H2
InChIKeyGIHWHTCNGQTTFM-UHFFFAOYSA-N
XLogP3.35
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.21
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminophenyl)methyl]-5-bromo-N-cyclopropylpyridine-2-carboxamide
CID 62960207
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
5-bromo-N-cyclopropyl-N-ethylpyridine-2-carboxamide
CID 62953692
4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 60956180
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide
CID 106853582
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
N-[(3-bromophenyl)methyl]-N-cyclopropyl-1H-pyrazole-4-carboxamide
CID 122131882
N-cyclopropyl-4-(3,6-dimethylpyrazin-2-yl)-N-[(3-hydroxyphenyl)methyl]benzamide
CID 121499615
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182
N-(4-aminocyclohexyl)-5-bromo-N-propylpyridine-2-carboxamide
CID 79112080
N-benzyl-6-bromo-N-cyclopropylpyridine-2-carboxamide
CID 103874221

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide (CID 62954767) is 5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide is O=C(c1ccc(Br)cn1)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide?
The InChIKey is GIHWHTCNGQTTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2/c17-12-4-7-15(18-9-12)16(21)19(13-5-6-13)10-11-2-1-3-14(20)8-11/h1-4,7-9,13,20H,5-6,10H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide?
5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 347.21 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 62954767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).