N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide

C16H23N3O3 — CID 109083009

IUPACN-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccnc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23N3O3/c1-12(2)3-5-18-15(20)13-4-6-17-14(11-13)16(21)19-7-9-22-10-8-19/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,18,20)
InChIKeyXTCGMWSSFZFOPR-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.33
Rot. Bonds5

About N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide

N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide (PubChem CID 109083009) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
PubChem CID109083009
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccnc(C(=O)N2CCOCC2)c1
InChIInChI=1S/C16H23N3O3/c1-12(2)3-5-18-15(20)13-4-6-17-14(11-13)16(21)19-7-9-22-10-8-19/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,18,20)
InChIKeyXTCGMWSSFZFOPR-UHFFFAOYSA-N
XLogP1.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109079570
2-N-(3-methylbutyl)-4-N-(2-morpholin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109083732
2-(4-acetylpiperazine-1-carbonyl)-N-(2-morpholin-4-ylethyl)pyridine-4-carboxamide
CID 109083708
N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109088442
N-(3-methoxypropyl)-4-(morpholine-4-carbonyl)pyridine-2-carboxamide
CID 109082639
N-[(2-chlorophenyl)methyl]-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082968
4-N-(2-morpholin-4-ylethyl)-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078221
2-(4-ethylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077634
ethyl 4-[[2-(morpholine-4-carbonyl)pyridine-4-carbonyl]amino]piperidine-1-carboxylate
CID 109082996
2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089566
N-(3,5-dichlorophenyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109083095
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide (CID 109083009) is N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide is CC(C)CCNC(=O)c1ccnc(C(=O)N2CCOCC2)c1.
What is the InChIKey of N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
The InChIKey is XTCGMWSSFZFOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-12(2)3-5-18-15(20)13-4-6-17-14(11-13)16(21)19-7-9-22-10-8-19/h4,6,11-12H,3,5,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide?
N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-(morpholine-4-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109083009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).