formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide

C26H23N3O4 — CID 158675296

IUPACformic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide
SMILESCc1ccc([C@@]2(NC(=O)c3ccc4ncccc4c3)CCOc3cccnc32)cc1.O=CO
InChIInChI=1S/C25H21N3O2.CH2O2/c1-17-6-9-20(10-7-17)25(12-15-30-22-5-3-14-27-23(22)25)28-24(29)19-8-11-21-18(16-19)4-2-13-26-21;2-1-3/h2-11,13-14,16H,12,15H2,1H3,(H,28,29);1H,(H,2,3)/t25-;/m0./s1
InChIKeyIEKZGAQJRYRVIC-UQIIZPHYSA-N
MW441.49 g/mol
LogP4.10
Rot. Bonds3

About formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide

formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide (PubChem CID 158675296) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide
PubChem CID158675296
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Nameformic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide
SMILESCc1ccc([C@@]2(NC(=O)c3ccc4ncccc4c3)CCOc3cccnc32)cc1.O=CO
InChIInChI=1S/C25H21N3O2.CH2O2/c1-17-6-9-20(10-7-17)25(12-15-30-22-5-3-14-27-23(22)25)28-24(29)19-8-11-21-18(16-19)4-2-13-26-21;2-1-3/h2-11,13-14,16H,12,15H2,1H3,(H,28,29);1H,(H,2,3)/t25-;/m0./s1
InChIKeyIEKZGAQJRYRVIC-UQIIZPHYSA-N
XLogP4.10
TPSA101.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 73056275
formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1H-pyrazole-5-carboxamide
CID 158454277
formic acid;1-methyl-N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]indole-3-carboxamide
CID 158477926
3-[4-[(4S)-4-[(4-fluorobenzoyl)amino]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]phenyl]-N,N-dimethylbenzamide
CID 90039636
formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide
CID 158687040
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
methyl 2-methyl-4-[[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]benzoate
CID 123688198
4-fluoro-N-[(4S)-4-[4-(furan-3-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 90039637
5-[[(4S)-4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]carbamoyl]-2-methoxybenzoic acid
CID 90039865
N-[(4S)-4-[4-(5-ethoxypyrazin-2-yl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-4-fluorobenzamide
CID 90040285
N-[(4S)-4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-1-benzothiophene-2-carboxamide
CID 90040204
N-[4-[4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-8-carboxamide
CID 90038857

Frequently Asked Questions

What is the IUPAC name of formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide?
The IUPAC name of formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide (CID 158675296) is formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide.
What is the SMILES notation for formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide?
The canonical SMILES for formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide is Cc1ccc([C@@]2(NC(=O)c3ccc4ncccc4c3)CCOc3cccnc32)cc1.O=CO.
What is the InChIKey of formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide?
The InChIKey is IEKZGAQJRYRVIC-UQIIZPHYSA-N. The full InChI is InChI=1S/C25H21N3O2.CH2O2/c1-17-6-9-20(10-7-17)25(12-15-30-22-5-3-14-27-23(22)25)28-24(29)19-8-11-21-18(16-19)4-2-13-26-21;2-1-3/h2-11,13-14,16H,12,15H2,1H3,(H,28,29);1H,(H,2,3)/t25-;/m0./s1.
What are the key properties of formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide?
formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide has a molecular weight of 441.49 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]quinoline-6-carboxamide is sourced from PubChem (CID 158675296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).