6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide

C16H22N4O3 — CID 69241099

IUPAC6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CNC(C(=O)N2CCCC2)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H22N4O3/c21-14-4-3-12(10-18-14)15(22)19-9-11-7-13(17-8-11)16(23)20-5-1-2-6-20/h3-4,10-11,13,17H,1-2,5-9H2,(H,18,21)(H,19,22)
InChIKeyZJKWNNPCRJGUTD-UHFFFAOYSA-N
MW318.38 g/mol
LogP-0.29
Rot. Bonds4

About 6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 69241099) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID69241099
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CNC(C(=O)N2CCCC2)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C16H22N4O3/c21-14-4-3-12(10-18-14)15(22)19-9-11-7-13(17-8-11)16(23)20-5-1-2-6-20/h3-4,10-11,13,17H,1-2,5-9H2,(H,18,21)(H,19,22)
InChIKeyZJKWNNPCRJGUTD-UHFFFAOYSA-N
XLogP-0.29
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-{(3R,5S)-1-acetyl-5-[(diethylamino)carbonyl]pyrrolidin-3-yl}-1-ethyl-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 72857517
1-(cyclopropylmethyl)-5-{[4-(2-pyrrolidinylcarbonyl)piperazino]methyl}-2(1H)-pyridinone
CID 53191740
2-[5-[[(3R)-3-fluoropyrrolidin-1-yl]methyl]-2-oxo-1-pyridinyl]-4-methylpentanamide
CID 155374666
(2S,4S)-4-amino-N,N-diethyl-1-[(6-oxo-1,6-dihydropyridin-3-yl)carbonyl]pyrrolidine-2-carboxamide
CID 56703508
5-[2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 11959932
(6-Hydroxy-pyridin-3-yl)-(S)(+)-(2-pyrrolidin-1-ylmethyl-pyrrolidin-1-yl)-methanone
CID 11960422
6-oxo-N-[[5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 69240732
6-oxo-N-[[(3S,5S)-5-(1,3-thiazolidine-3-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 69240735
6-oxo-N-[[(3S,5S)-5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
CID 69241100
N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 86605303
N-[1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 87913020
N-[(2S)-1-[cyano(methyl)amino]-4-methyl-1-oxopentan-2-yl]-6-oxo-1H-pyridine-3-carboxamide
CID 87913021

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide (CID 69241099) is 6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide is O=C(NCC1CNC(C(=O)N2CCCC2)C1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is ZJKWNNPCRJGUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c21-14-4-3-12(10-18-14)15(22)19-9-11-7-13(17-8-11)16(23)20-5-1-2-6-20/h3-4,10-11,13,17H,1-2,5-9H2,(H,18,21)(H,19,22).
What are the key properties of 6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[5-(pyrrolidine-1-carbonyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 69241099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).