N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide

C26H28N4O2 — CID 3205996

IUPACN-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1cccnc1
InChIInChI=1S/C26H28N4O2/c1-19-10-5-6-14-22(19)24(25(31)29-20-11-3-2-4-12-20)30(21-13-9-16-27-18-21)26(32)23-15-7-8-17-28-23/h5-10,13-18,20,24H,2-4,11-12H2,1H3,(H,29,31)
InChIKeyDEUNRUCGRHMXJN-UHFFFAOYSA-N
MW428.54 g/mol
LogP4.62
Rot. Bonds6

About N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide

N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide (PubChem CID 3205996) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
PubChem CID3205996
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC NameN-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1cccnc1
InChIInChI=1S/C26H28N4O2/c1-19-10-5-6-14-22(19)24(25(31)29-20-11-3-2-4-12-20)30(21-13-9-16-27-18-21)26(32)23-15-7-8-17-28-23/h5-10,13-18,20,24H,2-4,11-12H2,1H3,(H,29,31)
InChIKeyDEUNRUCGRHMXJN-UHFFFAOYSA-N
XLogP4.62
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide (CID 3205996) is N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1cccnc1.
What is the InChIKey of N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
The InChIKey is DEUNRUCGRHMXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-19-10-5-6-14-22(19)24(25(31)29-20-11-3-2-4-12-20)30(21-13-9-16-27-18-21)26(32)23-15-7-8-17-28-23/h5-10,13-18,20,24H,2-4,11-12H2,1H3,(H,29,31).
What are the key properties of N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide?
N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide has a molecular weight of 428.54 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-1-(2-methylphenyl)-2-oxoethyl]-N-pyridin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 3205996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).