4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide

C16H17ClN2O — CID 81227397

IUPAC4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cnccc2Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-10-4-5-11(2)13(8-10)12(3)19-16(20)14-9-18-7-6-15(14)17/h4-9,12H,1-3H3,(H,19,20)
InChIKeyNXVMGNIFISNCIS-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.84
Rot. Bonds3

About 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide

4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 81227397) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID81227397
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1ccc(C)c(C(C)NC(=O)c2cnccc2Cl)c1
InChIInChI=1S/C16H17ClN2O/c1-10-4-5-11(2)13(8-10)12(3)19-16(20)14-9-18-7-6-15(14)17/h4-9,12H,1-3H3,(H,19,20)
InChIKeyNXVMGNIFISNCIS-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81232777
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 17327139
2-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-4-fluorobenzamide
CID 17167985
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 30399426
5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626107
2,5-dibromo-N-[1-(2,5-dimethylphenyl)ethyl]benzamide
CID 114371335
N-[1-(2,5-dimethylphenyl)ethyl]-2,4,5-trimethoxybenzamide
CID 16549124
N-[1-(2,5-dimethylphenyl)ethyl]-2,5-difluorobenzamide
CID 16560846
N-[1-(3-bromophenyl)ethyl]-4-chloropyridine-3-carboxamide
CID 81227386
N-[1-(2,5-dimethylphenyl)ethyl]-5-methylfuran-2-carboxamide
CID 17327235
3-chloro-N-[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]pyridine-4-carboxamide
CID 95932132
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94018888

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide (CID 81227397) is 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide is Cc1ccc(C)c(C(C)NC(=O)c2cnccc2Cl)c1.
What is the InChIKey of 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is NXVMGNIFISNCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O/c1-10-4-5-11(2)13(8-10)12(3)19-16(20)14-9-18-7-6-15(14)17/h4-9,12H,1-3H3,(H,19,20).
What are the key properties of 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide?
4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 288.78 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(2,5-dimethylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 81227397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).