formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide

C26H25N3O4 — CID 158477926

IUPACformic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide
SMILESCc1ccc([C@@]2(NC(=O)c3cn(C)c4ccccc34)CCOc3cccnc32)cc1.O=CO
InChIInChI=1S/C25H23N3O2.CH2O2/c1-17-9-11-18(12-10-17)25(13-15-30-22-8-5-14-26-23(22)25)27-24(29)20-16-28(2)21-7-4-3-6-19(20)21;2-1-3/h3-12,14,16H,13,15H2,1-2H3,(H,27,29);1H,(H,2,3)/t25-;/m0./s1
InChIKeyHHDXFUSKYZVAOH-UQIIZPHYSA-N
MW443.50 g/mol
LogP4.04
Rot. Bonds3

About formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide

formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide (PubChem CID 158477926) has the molecular formula C26H25N3O4 and a molecular weight of 443.50 g/mol. Its IUPAC name is formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide.

Molecular Properties

Compound Nameformic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide
PubChem CID158477926
Molecular FormulaC26H25N3O4
Molecular Weight443.50 g/mol
Exact Mass443.18
IUPAC Nameformic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide
SMILESCc1ccc([C@@]2(NC(=O)c3cn(C)c4ccccc34)CCOc3cccnc32)cc1.O=CO
InChIInChI=1S/C25H23N3O2.CH2O2/c1-17-9-11-18(12-10-17)25(13-15-30-22-8-5-14-26-23(22)25)27-24(29)20-16-28(2)21-7-4-3-6-19(20)21;2-1-3/h3-12,14,16H,13,15H2,1-2H3,(H,27,29);1H,(H,2,3)/t25-;/m0./s1
InChIKeyHHDXFUSKYZVAOH-UQIIZPHYSA-N
XLogP4.04
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide
CID 158675296
N-[4-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide
CID 90040389
2-methyl-N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 90039749
2-[4-[(1-methylindole-3-carbonyl)amino]oxan-4-yl]acetic acid
CID 119214944
N-[(4S)-4-[4-(5-ethoxypyrazin-2-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide
CID 90040285
N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-benzimidazole-4-carboxamide
CID 90039976
N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 90039800
N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide
CID 90040204
N-[(4S)-4-(3-fluoro-4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-5-(5-oxo-4H-1,2,4-oxadiazol-3-yl)pyridine-2-carboxamide
CID 136963291
4-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]-2-hydroxybenzoic acid
CID 90038730
methyl 2-amino-4-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate
CID 90039427
1-[(1-methylindole-3-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 120538552

Frequently Asked Questions

What is the IUPAC name of formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide?
The IUPAC name of formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide (CID 158477926) is formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide.
What is the SMILES notation for formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide?
The canonical SMILES for formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide is Cc1ccc([C@@]2(NC(=O)c3cn(C)c4ccccc34)CCOc3cccnc32)cc1.O=CO.
What is the InChIKey of formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide?
The InChIKey is HHDXFUSKYZVAOH-UQIIZPHYSA-N. The full InChI is InChI=1S/C25H23N3O2.CH2O2/c1-17-9-11-18(12-10-17)25(13-15-30-22-8-5-14-26-23(22)25)27-24(29)20-16-28(2)21-7-4-3-6-19(20)21;2-1-3/h3-12,14,16H,13,15H2,1-2H3,(H,27,29);1H,(H,2,3)/t25-;/m0./s1.
What are the key properties of formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide?
formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide has a molecular weight of 443.50 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide is sourced from PubChem (CID 158477926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).