6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C20H24N6O2S — CID 134592130

IUPAC6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCSN1CCC(NC(=O)c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1
InChIInChI=1S/C20H24N6O2S/c1-29-25-6-4-17(12-25)24-19(27)16-8-14(9-22-10-16)15-7-13-3-2-5-26(20(21)28)18(13)23-11-15/h7-11,17H,2-6,12H2,1H3,(H2,21,28)(H,24,27)
InChIKeyQDEXVMWIZPGDGH-UHFFFAOYSA-N
MW412.52 g/mol
LogP2.06
Rot. Bonds4

About 6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134592130) has the molecular formula C20H24N6O2S and a molecular weight of 412.52 g/mol. Its IUPAC name is 6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound Name6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID134592130
Molecular FormulaC20H24N6O2S
Molecular Weight412.52 g/mol
Exact Mass412.17
IUPAC Name6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCSN1CCC(NC(=O)c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1
InChIInChI=1S/C20H24N6O2S/c1-29-25-6-4-17(12-25)24-19(27)16-8-14(9-22-10-16)15-7-13-3-2-5-26(20(21)28)18(13)23-11-15/h7-11,17H,2-6,12H2,1H3,(H2,21,28)(H,24,27)
InChIKeyQDEXVMWIZPGDGH-UHFFFAOYSA-N
XLogP2.06
TPSA104.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(8-carbamoyl-6,7-dihydro-5H-1,8-naphthyridin-3-yl)pyridine-3-carboxylic acid
CID 86305668
6-(5-tert-butyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 123837949
6-(5-pyrimidin-5-yl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305266
6-[5-(tert-Butyl-dimethyl-silanyloxymethyl)-pyridin-3-yl]-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid amide
CID 131733987
6-(5-fluoro-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305615
6-[5-[C-(2-iminoethyl)-N-methylcarbonimidoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 123552683
6-[5-(2,2,2-trifluoro-1-hydroxyethyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305422
6-[5-[(2R)-4-oxopentan-2-yl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 147740948
6-[5-(2-methylpyrazol-3-yl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305318
6-[5-(2-acetamidophenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86306011
6-[5-(3-sulfanylphenyl)-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 134592107
6-[5-fluoro-4-[(1R)-1-hydroxyethyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305759

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of 6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134592130) is 6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for 6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for 6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CSN1CCC(NC(=O)c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1.
What is the InChIKey of 6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is QDEXVMWIZPGDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2S/c1-29-25-6-4-17(12-25)24-19(27)16-8-14(9-22-10-16)15-7-13-3-2-5-26(20(21)28)18(13)23-11-15/h7-11,17H,2-6,12H2,1H3,(H2,21,28)(H,24,27).
What are the key properties of 6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(1-methylsulfanylpyrrolidin-3-yl)carbamoyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134592130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).