N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide

C16H17ClN2O3 — CID 56757268

IUPACN-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCc1cc(OCC(O)CNC(=O)c2cccnc2)ccc1Cl
InChIInChI=1S/C16H17ClN2O3/c1-11-7-14(4-5-15(11)17)22-10-13(20)9-19-16(21)12-3-2-6-18-8-12/h2-8,13,20H,9-10H2,1H3,(H,19,21)
InChIKeyJJHZDJXBPGDXDW-UHFFFAOYSA-N
MW320.78 g/mol
LogP2.21
Rot. Bonds6

About N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide

N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide (PubChem CID 56757268) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
PubChem CID56757268
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC NameN-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
SMILESCc1cc(OCC(O)CNC(=O)c2cccnc2)ccc1Cl
InChIInChI=1S/C16H17ClN2O3/c1-11-7-14(4-5-15(11)17)22-10-13(20)9-19-16(21)12-3-2-6-18-8-12/h2-8,13,20H,9-10H2,1H3,(H,19,21)
InChIKeyJJHZDJXBPGDXDW-UHFFFAOYSA-N
XLogP2.21
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-3-methylphenoxy)-3-(pyridin-3-ylmethylamino)propan-2-ol
CID 60633949
N-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677836
N-[(2S)-2-hydroxy-3-(3-methylphenoxy)propyl]-6-methylpyridine-3-carboxamide
CID 94677837
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 74235431
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
CID 51094308
1-(4-chloro-3-methylphenoxy)-3-(ethylamino)propan-2-ol
CID 43166207
N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide
CID 96538610
1-(4-chloro-3-methylphenoxy)-3-(2-methylanilino)propan-2-ol
CID 60901313
1-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]-3-cyclohexylurea
CID 119060836
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258
3-(4-chloro-3-methylphenoxy)-N-(2-methylpropyl)benzamide
CID 12941943
1-(4-chloro-3-methylphenoxy)-3-(2-methylpropylamino)propan-2-ol
CID 60635656

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide (CID 56757268) is N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide is Cc1cc(OCC(O)CNC(=O)c2cccnc2)ccc1Cl.
What is the InChIKey of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
The InChIKey is JJHZDJXBPGDXDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-11-7-14(4-5-15(11)17)22-10-13(20)9-19-16(21)12-3-2-6-18-8-12/h2-8,13,20H,9-10H2,1H3,(H,19,21).
What are the key properties of N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide?
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 56757268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).