5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide

C14H17ClN4O2 — CID 56722552

IUPAC5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C14H17ClN4O2/c1-9(2)19(8-12-16-4-5-18(12)3)14(21)11-6-10(15)7-17-13(11)20/h4-7,9H,8H2,1-3H3,(H,17,20)
InChIKeyWYCLDHUDBIRXIJ-UHFFFAOYSA-N
MW308.77 g/mol
LogP1.81
Rot. Bonds4

About 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide

5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 56722552) has the molecular formula C14H17ClN4O2 and a molecular weight of 308.77 g/mol. Its IUPAC name is 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID56722552
Molecular FormulaC14H17ClN4O2
Molecular Weight308.77 g/mol
Exact Mass308.10
IUPAC Name5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCC(C)N(Cc1nccn1C)C(=O)c1cc(Cl)c[nH]c1=O
InChIInChI=1S/C14H17ClN4O2/c1-9(2)19(8-12-16-4-5-18(12)3)14(21)11-6-10(15)7-17-13(11)20/h4-7,9H,8H2,1-3H3,(H,17,20)
InChIKeyWYCLDHUDBIRXIJ-UHFFFAOYSA-N
XLogP1.81
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.77
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide (CID 56722552) is 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide is CC(C)N(Cc1nccn1C)C(=O)c1cc(Cl)c[nH]c1=O.
What is the InChIKey of 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is WYCLDHUDBIRXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O2/c1-9(2)19(8-12-16-4-5-18(12)3)14(21)11-6-10(15)7-17-13(11)20/h4-7,9H,8H2,1-3H3,(H,17,20).
What are the key properties of 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide?
5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 308.77 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1-methylimidazol-2-yl)methyl]-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 56722552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).