N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

C23H26N6O2 — CID 91929934

IUPACN-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESCC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3C=NCCC3)c2)CC1
InChIInChI=1S/C23H26N6O2/c1-15(30)29-9-6-16(7-10-29)17-4-5-21(20(11-17)18-3-2-8-25-13-18)28-23(31)22-26-14-19(12-24)27-22/h4-5,11,13-14,16,18H,2-3,6-10H2,1H3,(H,26,27)(H,28,31)
InChIKeyASHOFNJROFDDJI-UHFFFAOYSA-N
MW418.50 g/mol
LogP3.21
Rot. Bonds4

About N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide

N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (PubChem CID 91929934) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.

Molecular Properties

Compound NameN-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
PubChem CID91929934
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC NameN-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide
SMILESCC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3C=NCCC3)c2)CC1
InChIInChI=1S/C23H26N6O2/c1-15(30)29-9-6-16(7-10-29)17-4-5-21(20(11-17)18-3-2-8-25-13-18)28-23(31)22-26-14-19(12-24)27-22/h4-5,11,13-14,16,18H,2-3,6-10H2,1H3,(H,26,27)(H,28,31)
InChIKeyASHOFNJROFDDJI-UHFFFAOYSA-N
XLogP3.21
TPSA114.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The IUPAC name of N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide (CID 91929934) is N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide.
What is the SMILES notation for N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The canonical SMILES for N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is CC(=O)N1CCC(c2ccc(NC(=O)c3ncc(C#N)[nH]3)c(C3C=NCCC3)c2)CC1.
What is the InChIKey of N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
The InChIKey is ASHOFNJROFDDJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-15(30)29-9-6-16(7-10-29)17-4-5-21(20(11-17)18-3-2-8-25-13-18)28-23(31)22-26-14-19(12-24)27-22/h4-5,11,13-14,16,18H,2-3,6-10H2,1H3,(H,26,27)(H,28,31).
What are the key properties of N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide?
N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-acetylpiperidin-4-yl)-2-(2,3,4,5-tetrahydropyridin-5-yl)phenyl]-5-cyano-1H-imidazole-2-carboxamide is sourced from PubChem (CID 91929934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).