N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide

C20H30N4O3 — CID 72874926

IUPACN-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccccn2)CN1C1CCOCC1
InChIInChI=1S/C20H30N4O3/c1-3-23(4-2)20(26)18-13-15(14-24(18)16-8-11-27-12-9-16)22-19(25)17-7-5-6-10-21-17/h5-7,10,15-16,18H,3-4,8-9,11-14H2,1-2H3,(H,22,25)/t15-,18-/m0/s1
InChIKeyYVKJKMUJTKRSNW-YJBOKZPZSA-N
MW374.49 g/mol
LogP1.30
Rot. Bonds6

About N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide

N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 72874926) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID72874926
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccccn2)CN1C1CCOCC1
InChIInChI=1S/C20H30N4O3/c1-3-23(4-2)20(26)18-13-15(14-24(18)16-8-11-27-12-9-16)22-19(25)17-7-5-6-10-21-17/h5-7,10,15-16,18H,3-4,8-9,11-14H2,1-2H3,(H,22,25)/t15-,18-/m0/s1
InChIKeyYVKJKMUJTKRSNW-YJBOKZPZSA-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

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Related Compounds

N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 156605980
(2S,4R)-N,N-diethyl-4-(furan-2-carbonylamino)-1-(oxan-4-yl)pyrrolidine-2-carboxamide
CID 72840620
(2S,4S)-N,N-diethyl-1-(oxan-4-yl)-4-(thiophene-2-carbonylamino)pyrrolidine-2-carboxamide
CID 72883740
N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72937755
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72844470
N-(1-ethylpiperidin-4-yl)pyridine-2-carboxamide
CID 69401322
N-[(3R,5S)-1-cyclopentyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 72870987
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-[(3S,5S)-5-(ethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]-2-methoxypyridine-4-carboxamide
CID 72937225
N-[(3S,5S)-5-(diethylcarbamoyl)-1-methylpyrrolidin-3-yl]-1-phenyltriazole-4-carboxamide
CID 72849809
N-[(3R)-1-methylpyrrolidin-3-yl]pyridine-2-carboxamide
CID 59568965
N-(1-ethylsulfonylpiperidin-4-yl)pyridine-2-carboxamide
CID 47021102

Frequently Asked Questions

What is the IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide (CID 72874926) is N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccccn2)CN1C1CCOCC1.
What is the InChIKey of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is YVKJKMUJTKRSNW-YJBOKZPZSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-3-23(4-2)20(26)18-13-15(14-24(18)16-8-11-27-12-9-16)22-19(25)17-7-5-6-10-21-17/h5-7,10,15-16,18H,3-4,8-9,11-14H2,1-2H3,(H,22,25)/t15-,18-/m0/s1.
What are the key properties of N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide?
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-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-[(3S,5S)-5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 72874926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).