2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide

C15H20N4O — CID 164642541

IUPAC2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide
SMILESCc1cccnc1C[C@H](C)NC(=O)Cn1ccnc1C
InChIInChI=1S/C15H20N4O/c1-11-5-4-6-17-14(11)9-12(2)18-15(20)10-19-8-7-16-13(19)3/h4-8,12H,9-10H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyITOMWSWGAGDSGY-LBPRGKRZSA-N
MW272.35 g/mol
LogP1.64
Rot. Bonds5

About 2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide

2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide (PubChem CID 164642541) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide
PubChem CID164642541
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide
SMILESCc1cccnc1C[C@H](C)NC(=O)Cn1ccnc1C
InChIInChI=1S/C15H20N4O/c1-11-5-4-6-17-14(11)9-12(2)18-15(20)10-19-8-7-16-13(19)3/h4-8,12H,9-10H2,1-3H3,(H,18,20)/t12-/m0/s1
InChIKeyITOMWSWGAGDSGY-LBPRGKRZSA-N
XLogP1.64
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide?
The IUPAC name of 2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide (CID 164642541) is 2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide.
What is the SMILES notation for 2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide?
The canonical SMILES for 2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide is Cc1cccnc1C[C@H](C)NC(=O)Cn1ccnc1C.
What is the InChIKey of 2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide?
The InChIKey is ITOMWSWGAGDSGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N4O/c1-11-5-4-6-17-14(11)9-12(2)18-15(20)10-19-8-7-16-13(19)3/h4-8,12H,9-10H2,1-3H3,(H,18,20)/t12-/m0/s1.
What are the key properties of 2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide?
2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide has a molecular weight of 272.35 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylimidazol-1-yl)-N-[(2S)-1-(3-methyl-2-pyridinyl)propan-2-yl]acetamide is sourced from PubChem (CID 164642541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).