N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide

C18H26N4O4 — CID 72854792

IUPACN-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2)CN1C(=O)CCO
InChIInChI=1S/C18H26N4O4/c1-3-21(4-2)18(26)15-10-14(12-22(15)16(24)7-9-23)20-17(25)13-6-5-8-19-11-13/h5-6,8,11,14-15,23H,3-4,7,9-10,12H2,1-2H3,(H,20,25)/t14-,15+/m1/s1
InChIKeyQKGLGDXBQIPSFI-CABCVRRESA-N
MW362.43 g/mol
LogP0.03
Rot. Bonds7

About N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide

N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 72854792) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID72854792
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2)CN1C(=O)CCO
InChIInChI=1S/C18H26N4O4/c1-3-21(4-2)18(26)15-10-14(12-22(15)16(24)7-9-23)20-17(25)13-6-5-8-19-11-13/h5-6,8,11,14-15,23H,3-4,7,9-10,12H2,1-2H3,(H,20,25)/t14-,15+/m1/s1
InChIKeyQKGLGDXBQIPSFI-CABCVRRESA-N
XLogP0.03
TPSA102.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,5S)-1-cyclohexyl-5-(diethylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 72937755
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]-1H-imidazole-2-carboxamide
CID 72935394
(2S,4R)-N,N-diethyl-4-(furan-3-carbonylamino)-1-[(E)-pent-3-enoyl]pyrrolidine-2-carboxamide
CID 72894334
N-[(3S,5S)-5-(diethylcarbamoyl)-1-(furan-3-ylmethyl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 72924623
methyl (2S,4S)-1-[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-(pyridine-3-carbonylamino)pyrrolidine-2-carboxylate
CID 25147249
(2S,4R)-4-[[3-(dimethylamino)benzoyl]amino]-N,N-diethyl-1-methylpyrrolidine-2-carboxamide
CID 72838638
N-[5-(diethylcarbamoyl)-1-(oxan-4-yl)pyrrolidin-3-yl]pyridine-4-carboxamide
CID 156605980
N-[(3R,5S)-1-(cyclobutanecarbonyl)-5-(diethylcarbamoyl)pyrrolidin-3-yl]-1-methylpyrrole-2-carboxamide
CID 72924058
N-(4-ethylcyclohexyl)pyridine-3-carboxamide
CID 25237064
N-[(3S,5S)-1-[(4-ethoxyphenyl)methyl]-5-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
CID 71687130
(2S,4S)-N,N-diethyl-1-(3-fluorobenzoyl)-4-[(2-hydroxyacetyl)amino]pyrrolidine-2-carboxamide
CID 72864361
N-[(3R,5S)-5-(diethylcarbamoyl)-1-propylpyrrolidin-3-yl]-2-(methylamino)pyrimidine-5-carboxamide
CID 72873267

Frequently Asked Questions

What is the IUPAC name of N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide (CID 72854792) is N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide is CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2cccnc2)CN1C(=O)CCO.
What is the InChIKey of N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is QKGLGDXBQIPSFI-CABCVRRESA-N. The full InChI is InChI=1S/C18H26N4O4/c1-3-21(4-2)18(26)15-10-14(12-22(15)16(24)7-9-23)20-17(25)13-6-5-8-19-11-13/h5-6,8,11,14-15,23H,3-4,7,9-10,12H2,1-2H3,(H,20,25)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 0.03, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,5S)-5-(diethylcarbamoyl)-1-(3-hydroxypropanoyl)pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 72854792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).