6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

C20H24N8O3S — CID 157296522

IUPAC6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESCCS(=O)(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1
InChIInChI=1S/C20H24N8O3S/c1-4-32(30,31)27-9-8-14-11-21-17(10-15(14)12-27)20(29)23-18-7-5-6-16(22-18)19-24-25-26-28(19)13(2)3/h5-7,10-11,13H,4,8-9,12H2,1-3H3,(H,22,23,29)
InChIKeyBBKIAFXRHLBBJQ-UHFFFAOYSA-N
MW456.53 g/mol
LogP1.67
Rot. Bonds6

About 6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide

6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (PubChem CID 157296522) has the molecular formula C20H24N8O3S and a molecular weight of 456.53 g/mol. Its IUPAC name is 6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
PubChem CID157296522
Molecular FormulaC20H24N8O3S
Molecular Weight456.53 g/mol
Exact Mass456.17
IUPAC Name6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
SMILESCCS(=O)(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1
InChIInChI=1S/C20H24N8O3S/c1-4-32(30,31)27-9-8-14-11-21-17(10-15(14)12-27)20(29)23-18-7-5-6-16(22-18)19-24-25-26-28(19)13(2)3/h5-7,10-11,13H,4,8-9,12H2,1-3H3,(H,22,23,29)
InChIKeyBBKIAFXRHLBBJQ-UHFFFAOYSA-N
XLogP1.67
TPSA135.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-(2-methoxyethyl)-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 146199711
6-methoxy-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-2-(3,3,3-trifluoropropylsulfonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 146199706
N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-2-propylsulfonyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 159485376
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-(3,3,3-trifluoropropylsulfonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 146199718
2-cyclopropyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-[1,3]thiazolo[4,5-c]pyridine-6-carboxamide
CID 138507426
7-[[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]carbamoyl]-6-methoxy-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 146564836
benzyl 6-methoxy-7-[[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 146564784
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 146604102
7-[[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylic acid
CID 155143548
N-[6-[1-[(2R)-1-hydroxypropan-2-yl]tetrazol-5-yl]-2-pyridinyl]-5-methyl-4-pyridin-3-ylpyridine-2-carboxamide
CID 153183817
6-[(3S)-3-hydroxybutanoyl]-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 155157376
2-methoxyethyl 7-[[6-(5,5-dimethyl-6,7-dihydropyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 155157737

Frequently Asked Questions

What is the IUPAC name of 6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The IUPAC name of 6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide (CID 157296522) is 6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The canonical SMILES for 6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is CCS(=O)(=O)N1CCc2cnc(C(=O)Nc3cccc(-c4nnnn4C(C)C)n3)cc2C1.
What is the InChIKey of 6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
The InChIKey is BBKIAFXRHLBBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N8O3S/c1-4-32(30,31)27-9-8-14-11-21-17(10-15(14)12-27)20(29)23-18-7-5-6-16(22-18)19-24-25-26-28(19)13(2)3/h5-7,10-11,13H,4,8-9,12H2,1-3H3,(H,22,23,29).
What are the key properties of 6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide?
6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide has a molecular weight of 456.53 g/mol, XLogP of 1.67, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylsulfonyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 157296522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).