N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide

C20H30N4O3 — CID 119039591

IUPACN-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1CN(c2ccnc(C(=O)NCC(=O)NC3CCCCC3)c2)CC(C)O1
InChIInChI=1S/C20H30N4O3/c1-14-12-24(13-15(2)27-14)17-8-9-21-18(10-17)20(26)22-11-19(25)23-16-6-4-3-5-7-16/h8-10,14-16H,3-7,11-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyOKAJMIUBWLBDFC-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.87
Rot. Bonds5

About N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide

N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide (PubChem CID 119039591) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
PubChem CID119039591
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide
SMILESCC1CN(c2ccnc(C(=O)NCC(=O)NC3CCCCC3)c2)CC(C)O1
InChIInChI=1S/C20H30N4O3/c1-14-12-24(13-15(2)27-14)17-8-9-21-18(10-17)20(26)22-11-19(25)23-16-6-4-3-5-7-16/h8-10,14-16H,3-7,11-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyOKAJMIUBWLBDFC-UHFFFAOYSA-N
XLogP1.87
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide (CID 119039591) is N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide is CC1CN(c2ccnc(C(=O)NCC(=O)NC3CCCCC3)c2)CC(C)O1.
What is the InChIKey of N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
The InChIKey is OKAJMIUBWLBDFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-14-12-24(13-15(2)27-14)17-8-9-21-18(10-17)20(26)22-11-19(25)23-16-6-4-3-5-7-16/h8-10,14-16H,3-7,11-13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide?
N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexylamino)-2-oxoethyl]-4-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 119039591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).