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

C25H25N3O4 — CID 158687040

IUPACformic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc([C@@]2(NC(=O)C3Cc4ccccc4N3)CCOc3cccnc32)cc1.O=CO
InChIInChI=1S/C24H23N3O2.CH2O2/c1-16-8-10-18(11-9-16)24(12-14-29-21-7-4-13-25-22(21)24)27-23(28)20-15-17-5-2-3-6-19(17)26-20;2-1-3/h2-11,13,20,26H,12,14-15H2,1H3,(H,27,28);1H,(H,2,3)/t20?,24-;/m0./s1
InChIKeyIFWIWNVXOHFAOV-ZAXUKBGBSA-N
MW431.49 g/mol
LogP3.27
Rot. Bonds3

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

formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 158687040) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

Compound Nameformic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID158687040
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Nameformic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCc1ccc([C@@]2(NC(=O)C3Cc4ccccc4N3)CCOc3cccnc32)cc1.O=CO
InChIInChI=1S/C24H23N3O2.CH2O2/c1-16-8-10-18(11-9-16)24(12-14-29-21-7-4-13-25-22(21)24)27-23(28)20-15-17-5-2-3-6-19(17)26-20;2-1-3/h2-11,13,20,26H,12,14-15H2,1H3,(H,27,28);1H,(H,2,3)/t20?,24-;/m0./s1
InChIKeyIFWIWNVXOHFAOV-ZAXUKBGBSA-N
XLogP3.27
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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]-2,3-dihydro-1H-indole-2-carboxamide?
The IUPAC name of 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) is formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide.
What is the SMILES notation for formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide?
The canonical SMILES for formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide is Cc1ccc([C@@]2(NC(=O)C3Cc4ccccc4N3)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]-2,3-dihydro-1H-indole-2-carboxamide?
The InChIKey is IFWIWNVXOHFAOV-ZAXUKBGBSA-N. The full InChI is InChI=1S/C24H23N3O2.CH2O2/c1-16-8-10-18(11-9-16)24(12-14-29-21-7-4-13-25-22(21)24)27-23(28)20-15-17-5-2-3-6-19(17)26-20;2-1-3/h2-11,13,20,26H,12,14-15H2,1H3,(H,27,28);1H,(H,2,3)/t20?,24-;/m0./s1.
What are the key properties of formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide?
formic acid;N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 3.27, 3 rotatable bonds, 3 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]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 158687040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).