3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide

C16H17ClN2O2 — CID 66484690

IUPAC3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)c1ccncc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11(2-3-12-4-6-13(20)7-5-12)19-16(21)14-8-9-18-10-15(14)17/h4-11,20H,2-3H2,1H3,(H,19,21)
InChIKeyNBLWTWQKUOJPCY-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.19
Rot. Bonds5

About 3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide

3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide (PubChem CID 66484690) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide
PubChem CID66484690
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)c1ccncc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11(2-3-12-4-6-13(20)7-5-12)19-16(21)14-8-9-18-10-15(14)17/h4-11,20H,2-3H2,1H3,(H,19,21)
InChIKeyNBLWTWQKUOJPCY-UHFFFAOYSA-N
XLogP3.19
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]pyridine-4-carboxamide
CID 66483785
3-chloro-N-[1-(dimethylamino)propan-2-yl]pyridine-4-carboxamide
CID 82939115
3-chloro-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 66484526
(2S)-2-[(3-chloropyridine-4-carbonyl)amino]propanoic acid
CID 66462207
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 103337657
3-chloro-N-propan-2-yloxypyridine-4-carboxamide
CID 131031569
(2S,3R)-2-[(3-chloropyridine-4-carbonyl)amino]-3-hydroxybutanoic acid
CID 104964857
(2S,3S)-2-[(3-chloropyridine-4-carbonyl)amino]-3-methylpentanoic acid
CID 66462208
2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
CID 106853262
3-chloro-N-[(2S)-2-hydroxypropyl]pyridine-4-carboxamide
CID 83030867

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide (CID 66484690) is 3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide is CC(CCc1ccc(O)cc1)NC(=O)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide?
The InChIKey is NBLWTWQKUOJPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11(2-3-12-4-6-13(20)7-5-12)19-16(21)14-8-9-18-10-15(14)17/h4-11,20H,2-3H2,1H3,(H,19,21).
What are the key properties of 3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide?
3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 66484690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).