4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide

C18H18N4O2S — CID 10108809

IUPAC4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1c[nH]c2ccc(N3CCCC3)nc2c1=O
InChIInChI=1S/C18H18N4O2S/c23-17-13(18(24)20-10-12-4-3-9-25-12)11-19-14-5-6-15(21-16(14)17)22-7-1-2-8-22/h3-6,9,11H,1-2,7-8,10H2,(H,19,23)(H,20,24)
InChIKeyOTQWRHNWGSUXGS-UHFFFAOYSA-N
MW354.44 g/mol
LogP2.51
Rot. Bonds4

About 4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide

4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide (PubChem CID 10108809) has the molecular formula C18H18N4O2S and a molecular weight of 354.44 g/mol. Its IUPAC name is 4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide
PubChem CID10108809
Molecular FormulaC18H18N4O2S
Molecular Weight354.44 g/mol
Exact Mass354.12
IUPAC Name4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1c[nH]c2ccc(N3CCCC3)nc2c1=O
InChIInChI=1S/C18H18N4O2S/c23-17-13(18(24)20-10-12-4-3-9-25-12)11-19-14-5-6-15(21-16(14)17)22-7-1-2-8-22/h3-6,9,11H,1-2,7-8,10H2,(H,19,23)(H,20,24)
InChIKeyOTQWRHNWGSUXGS-UHFFFAOYSA-N
XLogP2.51
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-4-oxo-6-pyrrolidin-1-yl-1H-1,5-naphthyridine-3-carboxamide
CID 10271820
9-oxo-N-(thiophen-2-ylmethyl)-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinoline-8-carboxamide
CID 43813774
4-oxo-N-[2-oxo-2-[(6-pyrrolidin-1-yl-3-pyridinyl)methylamino]ethyl]-1H-quinoline-3-carboxamide
CID 55702331
7-oxo-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)-[1,3,4]thiadiazolo[3,2-a]pyrimidine-5-carboxamide
CID 53053747
4-acetamido-2-piperidin-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 53145955
2-oxo-6-pyrrolidin-1-ylsulfonyl-N-(thiophen-2-ylmethyl)-1H-quinoline-4-carboxamide
CID 5008714
6-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558368
2,5-dimethyl-4-piperidin-1-yl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 46363911
6-piperidin-1-yl-N-(thiophen-2-ylmethyl)pyridin-1-ium-3-carboxamide
CID 7130488
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2-(thiophen-2-ylmethylcarbamoyl)-1,3-thiazole-4-carboxylic acid
CID 116696608
1-(5-piperidin-1-yl-1,3,4-thiadiazol-2-yl)-N-(thiophen-2-ylmethyl)pyrrole-2-carboxamide
CID 46335810

Frequently Asked Questions

What is the IUPAC name of 4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide (CID 10108809) is 4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide is O=C(NCc1cccs1)c1c[nH]c2ccc(N3CCCC3)nc2c1=O.
What is the InChIKey of 4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide?
The InChIKey is OTQWRHNWGSUXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2S/c23-17-13(18(24)20-10-12-4-3-9-25-12)11-19-14-5-6-15(21-16(14)17)22-7-1-2-8-22/h3-6,9,11H,1-2,7-8,10H2,(H,19,23)(H,20,24).
What are the key properties of 4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide?
4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide has a molecular weight of 354.44 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-6-pyrrolidin-1-yl-N-(thiophen-2-ylmethyl)-1H-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 10108809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).