N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide

C18H19N3OS — CID 50963964

IUPACN-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide
SMILESCCCCN(Cc1ccsc1)C(=O)c1ccc2cccnc2n1
InChIInChI=1S/C18H19N3OS/c1-2-3-10-21(12-14-8-11-23-13-14)18(22)16-7-6-15-5-4-9-19-17(15)20-16/h4-9,11,13H,2-3,10,12H2,1H3
InChIKeyUQYBZCPSPJLJSK-UHFFFAOYSA-N
MW325.44 g/mol
LogP4.13
Rot. Bonds6

About N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide

N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide (PubChem CID 50963964) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide
PubChem CID50963964
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC NameN-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide
SMILESCCCCN(Cc1ccsc1)C(=O)c1ccc2cccnc2n1
InChIInChI=1S/C18H19N3OS/c1-2-3-10-21(12-14-8-11-23-13-14)18(22)16-7-6-15-5-4-9-19-17(15)20-16/h4-9,11,13H,2-3,10,12H2,1H3
InChIKeyUQYBZCPSPJLJSK-UHFFFAOYSA-N
XLogP4.13
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-octylpyridine-2-carboxamide
CID 42778827
(2S)-2-amino-N-butyl-N-(thiophen-3-ylmethyl)propanamide
CID 46984908
N-butyl-N-(thiophen-2-ylmethyl)quinoline-2-carboxamide
CID 3772105
N-benzyl-N-butylthiadiazole-4-carboxamide
CID 42789403
N-butyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 78883116
N-butyl-N-ethyl-3-thiophen-3-ylpropanamide
CID 86978752
1,8-naphthyridine-2-carbonyl chloride
CID 129321879
3-(piperidine-1-carbonyl)-N-propyl-N-(thiophen-3-ylmethyl)pyrazine-2-carboxamide
CID 74245601
N-(1-hydroxybutan-2-yl)-N-(thiophen-3-ylmethyl)quinoline-8-carboxamide
CID 50983418
N-methyl-2-(propylamino)-N-(thiophen-3-ylmethyl)pyridine-3-carboxamide
CID 62169198
2-N,2-N,6-N,6-N-tetrahexylpyridine-2,6-dicarboxamide
CID 4094249
N-propyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 29151812

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide?
The IUPAC name of N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide (CID 50963964) is N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide.
What is the SMILES notation for N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide?
The canonical SMILES for N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide is CCCCN(Cc1ccsc1)C(=O)c1ccc2cccnc2n1.
What is the InChIKey of N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide?
The InChIKey is UQYBZCPSPJLJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-2-3-10-21(12-14-8-11-23-13-14)18(22)16-7-6-15-5-4-9-19-17(15)20-16/h4-9,11,13H,2-3,10,12H2,1H3.
What are the key properties of N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide?
N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide has a molecular weight of 325.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(thiophen-3-ylmethyl)-1,8-naphthyridine-2-carboxamide is sourced from PubChem (CID 50963964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).