N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide

C19H21N5O — CID 94815476

IUPACN-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCN(C)C[C@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-23(2)13-17(15-6-4-3-5-7-15)22-19(25)16-8-9-21-18(12-16)24-11-10-20-14-24/h3-12,14,17H,13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyKXRZFONEADKTGI-KRWDZBQOSA-N
MW335.41 g/mol
LogP2.30
Rot. Bonds6

About N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide

N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide (PubChem CID 94815476) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
PubChem CID94815476
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC NameN-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
SMILESCN(C)C[C@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-23(2)13-17(15-6-4-3-5-7-15)22-19(25)16-8-9-21-18(12-16)24-11-10-20-14-24/h3-12,14,17H,13H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeyKXRZFONEADKTGI-KRWDZBQOSA-N
XLogP2.30
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51089973
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94815477
N-[(1S)-2-hydroxy-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 110001583
N-[furan-2-yl(phenyl)methyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 51091279
N-(1-hydroxypentan-3-yl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 109478737
2-imidazol-1-yl-N-[1-(2-phenylcyclopropyl)ethyl]pyridine-4-carboxamide
CID 51091899
N-[(2R)-4-(furan-2-yl)butan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 94816789
N-[1-(2-fluorophenoxy)propan-2-yl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 47071079
2-(1,2,4-triazol-1-yl)-N-(3,3,3-trifluoro-1-phenylpropyl)pyridine-4-carboxamide
CID 47070462
N-[(1S)-2-(dimethylamino)-1-phenylethyl]-4-pyrazol-1-ylbenzamide
CID 8938307
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-[1-(hydroxymethyl)cyclooctyl]-2-imidazol-1-ylpyridine-4-carboxamide
CID 166481441

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The IUPAC name of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide (CID 94815476) is N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide is CN(C)C[C@H](NC(=O)c1ccnc(-n2ccnc2)c1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
The InChIKey is KXRZFONEADKTGI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N5O/c1-23(2)13-17(15-6-4-3-5-7-15)22-19(25)16-8-9-21-18(12-16)24-11-10-20-14-24/h3-12,14,17H,13H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide?
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-(dimethylamino)-1-phenylethyl]-2-imidazol-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 94815476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).