N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide

C16H17ClN2O2 — CID 90599834

IUPACN-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
SMILESCOC(C)(CNC(=O)c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-16(21-2,13-6-3-7-14(17)9-13)11-19-15(20)12-5-4-8-18-10-12/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyGRBVEANLKSSISX-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.03
Rot. Bonds5

About N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide

N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide (PubChem CID 90599834) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
PubChem CID90599834
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC NameN-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide
SMILESCOC(C)(CNC(=O)c1cccnc1)c1cccc(Cl)c1
InChIInChI=1S/C16H17ClN2O2/c1-16(21-2,13-6-3-7-14(17)9-13)11-19-15(20)12-5-4-8-18-10-12/h3-10H,11H2,1-2H3,(H,19,20)
InChIKeyGRBVEANLKSSISX-UHFFFAOYSA-N
XLogP3.03
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-phenoxybenzamide
CID 90599957
N-[2-(3-chlorophenyl)-2-methoxypropyl]-4-ethoxybenzamide
CID 90599881
trans-(1S,2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxypropyl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 172583761
N-[2-(3-chlorophenyl)-2-methoxypropyl]quinoxaline-2-carboxamide
CID 90599898
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-(2-methoxyethyl)urea
CID 90600185
methyl (2R)-2-methyl-2-phenyl-3-(pyridine-3-carbonylamino)propanoate
CID 99826011
N-[2-(3-chlorophenyl)-2-methoxypropyl]-1H-indole-2-carboxamide
CID 90599873
N'-(4-chlorophenyl)-N-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600132
1-[2-(3-chlorophenyl)-2-methoxypropyl]-3-[(4-chlorophenyl)methyl]urea
CID 90600204
N-benzyl-N'-[2-(3-chlorophenyl)-2-methoxypropyl]oxamide
CID 90600108
N-[2-(3-chlorophenyl)-2-methoxypropyl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 90599903
N-[2-(3-chlorophenoxy)ethyl]pyridine-3-carboxamide
CID 113099430

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide (CID 90599834) is N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide is COC(C)(CNC(=O)c1cccnc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide?
The InChIKey is GRBVEANLKSSISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-16(21-2,13-6-3-7-14(17)9-13)11-19-15(20)12-5-4-8-18-10-12/h3-10H,11H2,1-2H3,(H,19,20).
What are the key properties of N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide?
N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-methoxypropyl]pyridine-3-carboxamide is sourced from PubChem (CID 90599834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).