6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide

C21H25N5O2 — CID 53469989

IUPAC6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1
InChIInChI=1S/C21H25N5O2/c1-15-5-4-7-18(23-15)20(27)22-11-14-25-12-9-16(10-13-25)26-19-8-3-2-6-17(19)24-21(26)28/h2-8,16H,9-14H2,1H3,(H,22,27)(H,24,28)
InChIKeyPPWVRZKSAINUGX-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.10
Rot. Bonds5

About 6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide

6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide (PubChem CID 53469989) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide
PubChem CID53469989
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1
InChIInChI=1S/C21H25N5O2/c1-15-5-4-7-18(23-15)20(27)22-11-14-25-12-9-16(10-13-25)26-19-8-3-2-6-17(19)24-21(26)28/h2-8,16H,9-14H2,1H3,(H,22,27)(H,24,28)
InChIKeyPPWVRZKSAINUGX-UHFFFAOYSA-N
XLogP2.10
TPSA83.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide?
The IUPAC name of 6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide (CID 53469989) is 6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide?
The canonical SMILES for 6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide is Cc1cccc(C(=O)NCCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)n1.
What is the InChIKey of 6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide?
The InChIKey is PPWVRZKSAINUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-15-5-4-7-18(23-15)20(27)22-11-14-25-12-9-16(10-13-25)26-19-8-3-2-6-17(19)24-21(26)28/h2-8,16H,9-14H2,1H3,(H,22,27)(H,24,28).
What are the key properties of 6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide?
6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 53469989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).