N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide

C26H35N5O4 — CID 123975173

IUPACN-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
SMILESCOCCN(C)c1ncccc1NC(=O)C1CCC(Cn2c(=O)n(C)c3ccc(OC)cc32)CC1
InChIInChI=1S/C26H35N5O4/c1-29(14-15-34-3)24-21(6-5-13-27-24)28-25(32)19-9-7-18(8-10-19)17-31-23-16-20(35-4)11-12-22(23)30(2)26(31)33/h5-6,11-13,16,18-19H,7-10,14-15,17H2,1-4H3,(H,28,32)
InChIKeyKUWXYFFZFHDFCJ-UHFFFAOYSA-N
MW481.60 g/mol
LogP3.27
Rot. Bonds9

About N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide

N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 123975173) has the molecular formula C26H35N5O4 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
PubChem CID123975173
Molecular FormulaC26H35N5O4
Molecular Weight481.60 g/mol
Exact Mass481.27
IUPAC NameN-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide
SMILESCOCCN(C)c1ncccc1NC(=O)C1CCC(Cn2c(=O)n(C)c3ccc(OC)cc32)CC1
InChIInChI=1S/C26H35N5O4/c1-29(14-15-34-3)24-21(6-5-13-27-24)28-25(32)19-9-7-18(8-10-19)17-31-23-16-20(35-4)11-12-22(23)30(2)26(31)33/h5-6,11-13,16,18-19H,7-10,14-15,17H2,1-4H3,(H,28,32)
InChIKeyKUWXYFFZFHDFCJ-UHFFFAOYSA-N
XLogP3.27
TPSA90.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.60
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide (CID 123975173) is N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide is COCCN(C)c1ncccc1NC(=O)C1CCC(Cn2c(=O)n(C)c3ccc(OC)cc32)CC1.
What is the InChIKey of N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is KUWXYFFZFHDFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N5O4/c1-29(14-15-34-3)24-21(6-5-13-27-24)28-25(32)19-9-7-18(8-10-19)17-31-23-16-20(35-4)11-12-22(23)30(2)26(31)33/h5-6,11-13,16,18-19H,7-10,14-15,17H2,1-4H3,(H,28,32).
What are the key properties of N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide?
N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 3.27, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-methoxyethyl(methyl)amino]-3-pyridinyl]-4-[(6-methoxy-3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 123975173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).