3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide

C19H25N5O2 — CID 175982229

IUPAC3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
SMILESCCCC(=O)N1CCC(c2c(C)cc(-n3ccnc3)nc2C(N)=O)CC1
InChIInChI=1S/C19H25N5O2/c1-3-4-16(25)23-8-5-14(6-9-23)17-13(2)11-15(22-18(17)19(20)26)24-10-7-21-12-24/h7,10-12,14H,3-6,8-9H2,1-2H3,(H2,20,26)
InChIKeyOQBBHPLPHPCTSE-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.18
Rot. Bonds5

About 3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide

3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide (PubChem CID 175982229) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
PubChem CID175982229
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide
SMILESCCCC(=O)N1CCC(c2c(C)cc(-n3ccnc3)nc2C(N)=O)CC1
InChIInChI=1S/C19H25N5O2/c1-3-4-16(25)23-8-5-14(6-9-23)17-13(2)11-15(22-18(17)19(20)26)24-10-7-21-12-24/h7,10-12,14H,3-6,8-9H2,1-2H3,(H2,20,26)
InChIKeyOQBBHPLPHPCTSE-UHFFFAOYSA-N
XLogP2.18
TPSA94.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
The IUPAC name of 3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide (CID 175982229) is 3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
The canonical SMILES for 3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide is CCCC(=O)N1CCC(c2c(C)cc(-n3ccnc3)nc2C(N)=O)CC1.
What is the InChIKey of 3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
The InChIKey is OQBBHPLPHPCTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-4-16(25)23-8-5-14(6-9-23)17-13(2)11-15(22-18(17)19(20)26)24-10-7-21-12-24/h7,10-12,14H,3-6,8-9H2,1-2H3,(H2,20,26).
What are the key properties of 3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide?
3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butanoylpiperidin-4-yl)-6-imidazol-1-yl-4-methylpyridine-2-carboxamide is sourced from PubChem (CID 175982229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).