N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide

C17H20N2O — CID 100629953

IUPACN-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
SMILESCC[C@H](NC(=O)c1cccnc1)c1ccc(C)cc1C
InChIInChI=1S/C17H20N2O/c1-4-16(15-8-7-12(2)10-13(15)3)19-17(20)14-6-5-9-18-11-14/h5-11,16H,4H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyIVKMQNJZPLXLQK-INIZCTEOSA-N
MW268.36 g/mol
LogP3.58
Rot. Bonds4

About N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide

N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide (PubChem CID 100629953) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
PubChem CID100629953
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide
SMILESCC[C@H](NC(=O)c1cccnc1)c1ccc(C)cc1C
InChIInChI=1S/C17H20N2O/c1-4-16(15-8-7-12(2)10-13(15)3)19-17(20)14-6-5-9-18-11-14/h5-11,16H,4H2,1-3H3,(H,19,20)/t16-/m0/s1
InChIKeyIVKMQNJZPLXLQK-INIZCTEOSA-N
XLogP3.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72936682
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97209971
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 94014126
N-[1-(2,4-dimethylphenyl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46766795
N-[1-(2,4-dimethylphenyl)propyl]-4-ethoxy-3-methylbenzamide
CID 133265324
N-[1-(2,4-dimethylphenyl)propyl]-4-propan-2-yloxybenzamide
CID 132651077
N-[1-(2,4,5-trimethylphenyl)ethyl]pyridine-3-carboxamide
CID 133220444
N-[1-(2,4-dimethylphenyl)propyl]-4-(ethylsulfonylamino)benzamide
CID 132656310
N-[1-(2,4-dimethylphenyl)propyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 132656308
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-1-methyl-2-oxopyridine-3-carboxamide
CID 99932630
N-[(1S)-1-(2,4-dimethylphenyl)propyl]-4-methyl-3-nitrobenzamide
CID 99997817
N-[1-(2,4-dimethylphenyl)propyl]-4-prop-2-enoxybenzamide
CID 132650929

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide?
The IUPAC name of N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide (CID 100629953) is N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide is CC[C@H](NC(=O)c1cccnc1)c1ccc(C)cc1C.
What is the InChIKey of N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide?
The InChIKey is IVKMQNJZPLXLQK-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O/c1-4-16(15-8-7-12(2)10-13(15)3)19-17(20)14-6-5-9-18-11-14/h5-11,16H,4H2,1-3H3,(H,19,20)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide?
N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2,4-dimethylphenyl)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 100629953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).