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

C20H23N5O — CID 95278008

IUPAC(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide
SMILESCCN(C)[C@H](C(=O)NCc1ccc(-n2ccnc2)nc1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-3-24(2)19(17-7-5-4-6-8-17)20(26)23-14-16-9-10-18(22-13-16)25-12-11-21-15-25/h4-13,15,19H,3,14H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyULSKJPNVGOOGEJ-IBGZPJMESA-N
MW349.44 g/mol
LogP2.58
Rot. Bonds7

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

(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide (PubChem CID 95278008) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide
PubChem CID95278008
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide
SMILESCCN(C)[C@H](C(=O)NCc1ccc(-n2ccnc2)nc1)c1ccccc1
InChIInChI=1S/C20H23N5O/c1-3-24(2)19(17-7-5-4-6-8-17)20(26)23-14-16-9-10-18(22-13-16)25-12-11-21-15-25/h4-13,15,19H,3,14H2,1-2H3,(H,23,26)/t19-/m0/s1
InChIKeyULSKJPNVGOOGEJ-IBGZPJMESA-N
XLogP2.58
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.58
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)-2-phenylacetamide
CID 95292032
(2R)-N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 94750528
1-[2-(diethylamino)-2-phenylethyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine
CID 111011253
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
1-(1-hydroxybutan-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 110894423
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylbutan-2-yl)urea
CID 56783628
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(3-phenylpropyl)urea
CID 36509052
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
1-(3-hydroxy-2-phenylpropyl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 109408704
N-[(4-chlorophenyl)methyl]-2-[ethyl(methyl)amino]-2-phenylacetamide
CID 71933759
1-heptan-2-yl-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 43062127
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 38772539

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide (CID 95278008) is (2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide is CCN(C)[C@H](C(=O)NCc1ccc(-n2ccnc2)nc1)c1ccccc1.
What is the InChIKey of (2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide?
The InChIKey is ULSKJPNVGOOGEJ-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-24(2)19(17-7-5-4-6-8-17)20(26)23-14-16-9-10-18(22-13-16)25-12-11-21-15-25/h4-13,15,19H,3,14H2,1-2H3,(H,23,26)/t19-/m0/s1.
What are the key properties of (2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide?
(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide has a molecular weight of 349.44 g/mol, XLogP of 2.58, 7 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)methyl]-2-phenylacetamide is sourced from PubChem (CID 95278008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).