1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide

C13H16N4O — CID 131896736

IUPAC1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide
SMILESCc1cccnc1CCNC(=O)c1nccn1C
InChIInChI=1S/C13H16N4O/c1-10-4-3-6-14-11(10)5-7-16-13(18)12-15-8-9-17(12)2/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,18)
InChIKeyPXRUONJCZBJIMC-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.10
Rot. Bonds4

About 1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide

1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide (PubChem CID 131896736) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide
PubChem CID131896736
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide
SMILESCc1cccnc1CCNC(=O)c1nccn1C
InChIInChI=1S/C13H16N4O/c1-10-4-3-6-14-11(10)5-7-16-13(18)12-15-8-9-17(12)2/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,18)
InChIKeyPXRUONJCZBJIMC-UHFFFAOYSA-N
XLogP1.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide?
The IUPAC name of 1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide (CID 131896736) is 1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide is Cc1cccnc1CCNC(=O)c1nccn1C.
What is the InChIKey of 1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide?
The InChIKey is PXRUONJCZBJIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-10-4-3-6-14-11(10)5-7-16-13(18)12-15-8-9-17(12)2/h3-4,6,8-9H,5,7H2,1-2H3,(H,16,18).
What are the key properties of 1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide?
1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-(3-methyl-2-pyridinyl)ethyl]imidazole-2-carboxamide is sourced from PubChem (CID 131896736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).