3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide

C17H16ClN4OS+ — CID 144641939

IUPAC3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(cc12)C[NH2+]CC3
InChIInChI=1S/C17H15ClN4OS/c18-10-1-3-11(4-2-10)21-16(23)15-14(19)12-7-9-8-20-6-5-13(9)22-17(12)24-15/h1-4,7,20H,5-6,8,19H2,(H,21,23)/p+1
InChIKeyZRPAYWUNWHDGGM-UHFFFAOYSA-O
MW359.86 g/mol
LogP2.40
Rot. Bonds2

About 3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide

3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide (PubChem CID 144641939) has the molecular formula C17H16ClN4OS+ and a molecular weight of 359.86 g/mol. Its IUPAC name is 3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide
PubChem CID144641939
Molecular FormulaC17H16ClN4OS+
Molecular Weight359.86 g/mol
Exact Mass359.07
IUPAC Name3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide
SMILESNc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(cc12)C[NH2+]CC3
InChIInChI=1S/C17H15ClN4OS/c18-10-1-3-11(4-2-10)21-16(23)15-14(19)12-7-9-8-20-6-5-13(9)22-17(12)24-15/h1-4,7,20H,5-6,8,19H2,(H,21,23)/p+1
InChIKeyZRPAYWUNWHDGGM-UHFFFAOYSA-O
XLogP2.40
TPSA84.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.86
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 1005081
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 839017
3-amino-N-(3-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23803874
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.5.0.03,7]tetradeca-1,3(7),5,8-tetraene-5-carboxamide
CID 1023419
3-amino-N-(4-hydroxyphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 129257422
6-amino-N-pyridin-4-yl-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 21232440
3-amino-N-(4-ethylphenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866585
6-amino-N-(4-chloro-2-methoxyphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23944808
3-amino-5-benzoyl-N-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 162395187
3-amino-N-(3,4-dimethylphenyl)-6-ethyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 4196604
3-amino-N-phenyl-6-propan-2-yl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866580
6-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-thia-2-azatricyclo[7.6.0.03,7]pentadeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23858453

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide?
The IUPAC name of 3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide (CID 144641939) is 3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide.
What is the SMILES notation for 3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide?
The canonical SMILES for 3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide is Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(cc12)C[NH2+]CC3.
What is the InChIKey of 3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide?
The InChIKey is ZRPAYWUNWHDGGM-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H15ClN4OS/c18-10-1-3-11(4-2-10)21-16(23)15-14(19)12-7-9-8-20-6-5-13(9)22-17(12)24-15/h1-4,7,20H,5-6,8,19H2,(H,21,23)/p+1.
What are the key properties of 3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide?
3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide has a molecular weight of 359.86 g/mol, XLogP of 2.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-chlorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-6-ium-2-carboxamide is sourced from PubChem (CID 144641939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).