N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide

C20H30N4O3 — CID 156605980

IUPACN-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)C1CC(NC(=O)c2ccncc2)CN1C1CCOCC1
InChIInChI=1S/C20H30N4O3/c1-3-23(4-2)20(26)18-13-16(14-24(18)17-7-11-27-12-8-17)22-19(25)15-5-9-21-10-6-15/h5-6,9-10,16-18H,3-4,7-8,11-14H2,1-2H3,(H,22,25)
InChIKeyYKCRLYFWJBZKFP-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.30
Rot. Bonds6

About N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide

N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide (PubChem CID 156605980) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
PubChem CID156605980
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
SMILESCCN(CC)C(=O)C1CC(NC(=O)c2ccncc2)CN1C1CCOCC1
InChIInChI=1S/C20H30N4O3/c1-3-23(4-2)20(26)18-13-16(14-24(18)17-7-11-27-12-8-17)22-19(25)15-5-9-21-10-6-15/h5-6,9-10,16-18H,3-4,7-8,11-14H2,1-2H3,(H,22,25)
InChIKeyYKCRLYFWJBZKFP-UHFFFAOYSA-N
XLogP1.30
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]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-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
CID 72874926
(2S,4S)-N,N-diethyl-1-(oxan-4-yl)-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide
CID 72883740
(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72840620
3-amino-N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 72907418
N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72937755
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 72924623
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
CID 72937225
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72844470
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 72870987
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 91923037
N-(1-ethylpiperidin-4-yl)pyridine-4-carboxamide
CID 17249927
(2S,4R)-1-cyclopentyl-N,N-diethyl-4-[[2-(3-methyl-1,2-oxazol-5-yl)acetyl]amino]pyrrolidine-2-carboxamide
CID 72852321

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide (CID 156605980) is N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide is CCN(CC)C(=O)C1CC(NC(=O)c2ccncc2)CN1C1CCOCC1.
What is the InChIKey of N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide?
The InChIKey is YKCRLYFWJBZKFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-23(4-2)20(26)18-13-16(14-24(18)17-7-11-27-12-8-17)22-19(25)15-5-9-21-10-6-15/h5-6,9-10,16-18H,3-4,7-8,11-14H2,1-2H3,(H,22,25).
What are the key properties of N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide?
N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 156605980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).