N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide

C28H31N3O2 — CID 21156953

IUPACN-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide
SMILESCc1ccccc1C(C(N)=O)(C1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C28H31N3O2/c1-21-12-8-9-17-24(21)28(27(29)33,23-15-6-3-7-16-23)31(20-22-13-4-2-5-14-22)26(32)25-18-10-11-19-30-25/h2,4-5,8-14,17-19,23H,3,6-7,15-16,20H2,1H3,(H2,29,33)
InChIKeyCQSFYRSDYOPTNB-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.99
Rot. Bonds7

About N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide

N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide (PubChem CID 21156953) has the molecular formula C28H31N3O2 and a molecular weight of 441.58 g/mol. Its IUPAC name is N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide
PubChem CID21156953
Molecular FormulaC28H31N3O2
Molecular Weight441.58 g/mol
Exact Mass441.24
IUPAC NameN-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide
SMILESCc1ccccc1C(C(N)=O)(C1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccn1
InChIInChI=1S/C28H31N3O2/c1-21-12-8-9-17-24(21)28(27(29)33,23-15-6-3-7-16-23)31(20-22-13-4-2-5-14-22)26(32)25-18-10-11-19-30-25/h2,4-5,8-14,17-19,23H,3,6-7,15-16,20H2,1H3,(H2,29,33)
InChIKeyCQSFYRSDYOPTNB-UHFFFAOYSA-N
XLogP4.99
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide?
The IUPAC name of N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide (CID 21156953) is N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide?
The canonical SMILES for N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide is Cc1ccccc1C(C(N)=O)(C1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccn1.
What is the InChIKey of N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide?
The InChIKey is CQSFYRSDYOPTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O2/c1-21-12-8-9-17-24(21)28(27(29)33,23-15-6-3-7-16-23)31(20-22-13-4-2-5-14-22)26(32)25-18-10-11-19-30-25/h2,4-5,8-14,17-19,23H,3,6-7,15-16,20H2,1H3,(H2,29,33).
What are the key properties of N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide?
N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide has a molecular weight of 441.58 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-1-cyclohexyl-1-(2-methylphenyl)-2-oxoethyl]-N-benzylpyridine-2-carboxamide is sourced from PubChem (CID 21156953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).