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

C17H20N2O — CID 133220444

IUPACN-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(C(C)NC(=O)c2cccnc2)cc1C
InChIInChI=1S/C17H20N2O/c1-11-8-13(3)16(9-12(11)2)14(4)19-17(20)15-6-5-7-18-10-15/h5-10,14H,1-4H3,(H,19,20)
InChIKeyMQPWCODWZFNUHO-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.50
Rot. Bonds3

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

N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide (PubChem CID 133220444) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide
PubChem CID133220444
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide
SMILESCc1cc(C)c(C(C)NC(=O)c2cccnc2)cc1C
InChIInChI=1S/C17H20N2O/c1-11-8-13(3)16(9-12(11)2)14(4)19-17(20)15-6-5-7-18-10-15/h5-10,14H,1-4H3,(H,19,20)
InChIKeyMQPWCODWZFNUHO-UHFFFAOYSA-N
XLogP3.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-aminophenyl)ethyl]pyridine-3-carboxamide
CID 43297891
N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 4126174
N-[(1S)-1-(2-bromo-4,5-dimethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 100899430
N-[1-(3,5-difluorophenyl)ethyl]pyridine-3-carboxamide
CID 140591732
4-phenyl-N-[1-(2,4,5-trimethylphenyl)ethyl]benzamide
CID 133217691
N-[(S)-(2-methylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 100628969
N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 155606933
N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
CID 100629953
N-[(1R)-1-(4-pyridin-4-ylphenyl)ethyl]pyridine-3-carboxamide
CID 95935601
N-[(2S)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 54216769
N-[(3,4-dimethylphenyl)-phenylmethyl]pyridine-3-carboxamide
CID 43010004
N-[1-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963769

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide (CID 133220444) is N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide is Cc1cc(C)c(C(C)NC(=O)c2cccnc2)cc1C.
What is the InChIKey of N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide?
The InChIKey is MQPWCODWZFNUHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-11-8-13(3)16(9-12(11)2)14(4)19-17(20)15-6-5-7-18-10-15/h5-10,14H,1-4H3,(H,19,20).
What are the key properties of N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide?
N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 133220444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).