N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide

C20H22N4O — CID 171801254

IUPACN-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide
SMILESCc1nccn1[C@H](C)c1ccc(NC(=O)CCc2ccccn2)cc1
InChIInChI=1S/C20H22N4O/c1-15(24-14-13-21-16(24)2)17-6-8-19(9-7-17)23-20(25)11-10-18-5-3-4-12-22-18/h3-9,12-15H,10-11H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyWXTIGNGRLHLAGF-OAHLLOKOSA-N
MW334.42 g/mol
LogP3.77
Rot. Bonds6

About N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide

N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide (PubChem CID 171801254) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide
PubChem CID171801254
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide
SMILESCc1nccn1[C@H](C)c1ccc(NC(=O)CCc2ccccn2)cc1
InChIInChI=1S/C20H22N4O/c1-15(24-14-13-21-16(24)2)17-6-8-19(9-7-17)23-20(25)11-10-18-5-3-4-12-22-18/h3-9,12-15H,10-11H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyWXTIGNGRLHLAGF-OAHLLOKOSA-N
XLogP3.77
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl N-[4-[1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801207
phenyl N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]carbamate
CID 171801428
N-(4-hydroxyphenyl)-3-pyridin-2-ylpropanamide
CID 80743821
1-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-(pyridazin-3-ylmethyl)urea
CID 171801159
1-[(4-fluoro-2-pyridinyl)methyl]-3-[4-[(1S)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801164
N-(3-bromo-4-methylphenyl)-3-pyridin-2-ylpropanamide
CID 110389230
1-[(5-fluoro-2-pyridinyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801368
1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801414
3-pyridin-2-yl-N-pyridin-3-ylpropanamide
CID 47468155
N-methyl-3-pyridin-2-ylpropanamide
CID 14093010
N-[3-(1-propylimidazol-2-yl)phenyl]-3-pyridin-2-ylpropanamide
CID 75427147
3-pyridin-2-yl-N-(2,4,6-trimethylphenyl)propanamide
CID 47468107

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide?
The IUPAC name of N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide (CID 171801254) is N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide.
What is the SMILES notation for N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide?
The canonical SMILES for N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide is Cc1nccn1[C@H](C)c1ccc(NC(=O)CCc2ccccn2)cc1.
What is the InChIKey of N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide?
The InChIKey is WXTIGNGRLHLAGF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22N4O/c1-15(24-14-13-21-16(24)2)17-6-8-19(9-7-17)23-20(25)11-10-18-5-3-4-12-22-18/h3-9,12-15H,10-11H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide?
N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide has a molecular weight of 334.42 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]-3-pyridin-2-ylpropanamide is sourced from PubChem (CID 171801254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).