2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide

C19H20N4O — CID 71987373

IUPAC2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC(Cc1nccn1C)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-14-16(9-6-10-20-14)19(24)22-17(15-7-4-3-5-8-15)13-18-21-11-12-23(18)2/h3-12,17H,13H2,1-2H3,(H,22,24)
InChIKeyABOVCUWXCGXPNL-UHFFFAOYSA-N
MW320.40 g/mol
LogP2.84
Rot. Bonds5

About 2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide

2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide (PubChem CID 71987373) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide
PubChem CID71987373
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide
SMILESCc1ncccc1C(=O)NC(Cc1nccn1C)c1ccccc1
InChIInChI=1S/C19H20N4O/c1-14-16(9-6-10-20-14)19(24)22-17(15-7-4-3-5-8-15)13-18-21-11-12-23(18)2/h3-12,17H,13H2,1-2H3,(H,22,24)
InChIKeyABOVCUWXCGXPNL-UHFFFAOYSA-N
XLogP2.84
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
CID 95783170
3-iodo-N-[(1R)-2-(1-methylimidazol-2-yl)-1-phenylethyl]benzamide
CID 95782251
N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]cyclobutanecarboxamide
CID 97218361
trans-(1S,2S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]-2-phenylcyclopropane-1-carboxamide
CID 96568567
4-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]benzenesulfonamide
CID 102352481
3-(1-methylimidazol-2-yl)-2-phenylpropanoic acid
CID 81008633
N-(3,3-diphenylpropyl)-2-methylpyridine-3-carboxamide
CID 11976200
(1R,2S,4S)-N-[(1S)-2-(1-methylimidazol-2-yl)-1-phenylethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98201288
4-[(1-methylimidazol-2-yl)methoxy]-N-[(1R)-1-phenylbutyl]benzamide
CID 51952155
ethyl N-methyl-N-[4-[[2-[[2-(1-methylimidazol-2-yl)-1-phenylethyl]amino]-2-oxoacetyl]amino]phenyl]carbamate
CID 71869475
2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
CID 103945105
2-chloro-N-[(1S)-3-[[(R)-(1-methylimidazol-2-yl)-phenylmethyl]amino]-3-oxo-1-phenylpropyl]benzamide
CID 25475792

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide (CID 71987373) is 2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide is Cc1ncccc1C(=O)NC(Cc1nccn1C)c1ccccc1.
What is the InChIKey of 2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide?
The InChIKey is ABOVCUWXCGXPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-16(9-6-10-20-14)19(24)22-17(15-7-4-3-5-8-15)13-18-21-11-12-23(18)2/h3-12,17H,13H2,1-2H3,(H,22,24).
What are the key properties of 2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide?
2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methylimidazol-2-yl)-1-phenylethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71987373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).