(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide

C19H21N5O — CID 95292032

IUPAC(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
SMILESCCN(C)[C@H](C(=O)Nc1ccc(-n2ccnc2)nc1)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-3-23(2)18(15-7-5-4-6-8-15)19(25)22-16-9-10-17(21-13-16)24-12-11-20-14-24/h4-14,18H,3H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyWQQSZRHRYBGGAA-SFHVURJKSA-N
MW335.41 g/mol
LogP2.90
Rot. Bonds6

About (2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide

(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide (PubChem CID 95292032) has the molecular formula C19H21N5O and a molecular weight of 335.41 g/mol. Its IUPAC name is (2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
PubChem CID95292032
Molecular FormulaC19H21N5O
Molecular Weight335.41 g/mol
Exact Mass335.17
IUPAC Name(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide
SMILESCCN(C)[C@H](C(=O)Nc1ccc(-n2ccnc2)nc1)c1ccccc1
InChIInChI=1S/C19H21N5O/c1-3-23(2)18(15-7-5-4-6-8-15)19(25)22-16-9-10-17(21-13-16)24-12-11-20-14-24/h4-14,18H,3H2,1-2H3,(H,22,25)/t18-/m0/s1
InChIKeyWQQSZRHRYBGGAA-SFHVURJKSA-N
XLogP2.90
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 ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide
CID 95278008
N-(6-imidazol-1-yl-3-pyridinyl)-2-methylpropanamide
CID 35437698
2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
1-benzhydryl-3-(6-imidazol-1-yl-3-pyridinyl)urea
CID 90564893
2-(aminomethyl)-N-(6-imidazol-1-yl-3-pyridinyl)pentanamide
CID 65225245
2-(2-chlorophenoxy)-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 75424281
N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 35437719
2-amino-N-(6-imidazol-1-yl-3-pyridinyl)-3-methoxypropanamide
CID 81082774
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814
N-benzyl-6-imidazol-1-ylpyridin-3-amine
CID 43710619
(2S)-2-(1-benzofuran-2-yl)-N-(6-imidazol-1-yl-3-pyridinyl)propanamide
CID 97220819
(2R)-2-(carbamoylamino)-N-(6-imidazol-1-yl-3-pyridinyl)-4-methylsulfanylbutanamide
CID 95300199

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide?
The IUPAC name of (2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide (CID 95292032) is (2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide is CCN(C)[C@H](C(=O)Nc1ccc(-n2ccnc2)nc1)c1ccccc1.
What is the InChIKey of (2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide?
The InChIKey is WQQSZRHRYBGGAA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N5O/c1-3-23(2)18(15-7-5-4-6-8-15)19(25)22-16-9-10-17(21-13-16)24-12-11-20-14-24/h4-14,18H,3H2,1-2H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide?
(2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide has a molecular weight of 335.41 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[ethyl(methyl)amino]-N-(6-imidazol-1-yl-3-pyridinyl)-2-phenylacetamide is sourced from PubChem (CID 95292032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).