N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide

C29H35N7O2 — CID 139447737

IUPACN-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc3cc(CN4CCOCC4)ccc3n2C2CCCCC2)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C29H35N7O2/c1-20-14-22(16-25(31-20)23-17-30-34(2)19-23)28(37)33-29-32-26-15-21(18-35-10-12-38-13-11-35)8-9-27(26)36(29)24-6-4-3-5-7-24/h8-9,14-17,19,24H,3-7,10-13,18H2,1-2H3,(H,32,33,37)
InChIKeyCRXRNUCORDKQEV-UHFFFAOYSA-N
MW513.65 g/mol
LogP4.73
Rot. Bonds6

About N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide

N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (PubChem CID 139447737) has the molecular formula C29H35N7O2 and a molecular weight of 513.65 g/mol. Its IUPAC name is N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
PubChem CID139447737
Molecular FormulaC29H35N7O2
Molecular Weight513.65 g/mol
Exact Mass513.29
IUPAC NameN-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2nc3cc(CN4CCOCC4)ccc3n2C2CCCCC2)cc(-c2cnn(C)c2)n1
InChIInChI=1S/C29H35N7O2/c1-20-14-22(16-25(31-20)23-17-30-34(2)19-23)28(37)33-29-32-26-15-21(18-35-10-12-38-13-11-35)8-9-27(26)36(29)24-6-4-3-5-7-24/h8-9,14-17,19,24H,3-7,10-13,18H2,1-2H3,(H,32,33,37)
InChIKeyCRXRNUCORDKQEV-UHFFFAOYSA-N
XLogP4.73
TPSA90.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.65
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide (CID 139447737) is N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is Cc1cc(C(=O)Nc2nc3cc(CN4CCOCC4)ccc3n2C2CCCCC2)cc(-c2cnn(C)c2)n1.
What is the InChIKey of N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
The InChIKey is CRXRNUCORDKQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O2/c1-20-14-22(16-25(31-20)23-17-30-34(2)19-23)28(37)33-29-32-26-15-21(18-35-10-12-38-13-11-35)8-9-27(26)36(29)24-6-4-3-5-7-24/h8-9,14-17,19,24H,3-7,10-13,18H2,1-2H3,(H,32,33,37).
What are the key properties of N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide?
N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide has a molecular weight of 513.65 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyclohexyl-5-(morpholin-4-ylmethyl)benzimidazol-2-yl]-2-methyl-6-(1-methylpyrazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 139447737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).