N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide

C15H16N4O3S — CID 144570083

IUPACN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide
SMILESCS(=O)Nc1ccc(C(=O)NC2CCOc3cccnc32)nc1
InChIInChI=1S/C15H16N4O3S/c1-23(21)19-10-4-5-12(17-9-10)15(20)18-11-6-8-22-13-3-2-7-16-14(11)13/h2-5,7,9,11,19H,6,8H2,1H3,(H,18,20)
InChIKeyGAMOTNLIUFIWIS-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.44
Rot. Bonds4

About N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide

N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide (PubChem CID 144570083) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide
PubChem CID144570083
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide
SMILESCS(=O)Nc1ccc(C(=O)NC2CCOc3cccnc32)nc1
InChIInChI=1S/C15H16N4O3S/c1-23(21)19-10-4-5-12(17-9-10)15(20)18-11-6-8-22-13-3-2-7-16-14(11)13/h2-5,7,9,11,19H,6,8H2,1H3,(H,18,20)
InChIKeyGAMOTNLIUFIWIS-UHFFFAOYSA-N
XLogP1.44
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide with MolForge

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Related Compounds

6-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-3-carboxylic acid
CID 144569763
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)quinoxaline-2-carboxamide
CID 144569816
N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]-4-methylbenzamide
CID 144570152
(4S)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-amine;N-[(4R)-3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl]acetamide
CID 161064892
5-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-1H-pyrrole-2-carboxylic acid
CID 144569932
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-3-methylbutanamide
CID 176873000
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-1-methylbenzimidazole-2-carboxamide
CID 144570162
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-4-fluorobenzamide;5-phenylpyrimidine
CID 144570129
1-fluoro-2-(trifluoromethoxy)benzene;methyl 2-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)pyridine-4-carboxylate
CID 144570124
5-cyano-N-(3,4-dihydro-2H-chromen-4-yl)pyridine-2-carboxamide
CID 63719488
3-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-ylcarbamoyl)-4-methoxycyclohexane-1-carboxylic acid
CID 123480598
N-(3,4-dihydro-2H-chromen-4-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375415

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide?
The IUPAC name of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide (CID 144570083) is N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide.
What is the SMILES notation for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide?
The canonical SMILES for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide is CS(=O)Nc1ccc(C(=O)NC2CCOc3cccnc32)nc1.
What is the InChIKey of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide?
The InChIKey is GAMOTNLIUFIWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-23(21)19-10-4-5-12(17-9-10)15(20)18-11-6-8-22-13-3-2-7-16-14(11)13/h2-5,7,9,11,19H,6,8H2,1H3,(H,18,20).
What are the key properties of N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide?
N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide has a molecular weight of 332.39 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyrano[3,2-b]pyridin-4-yl)-5-(methanesulfinamido)pyridine-2-carboxamide is sourced from PubChem (CID 144570083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).