N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide

C22H20N2O2 — CID 73056275

IUPACN-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESCc1ccc([C@@]2(NC(=O)c3ccccc3)CCOc3cccnc32)cc1
InChIInChI=1S/C22H20N2O2/c1-16-9-11-18(12-10-16)22(24-21(25)17-6-3-2-4-7-17)13-15-26-19-8-5-14-23-20(19)22/h2-12,14H,13,15H2,1H3,(H,24,25)/t22-/m0/s1
InChIKeySOGDINHYJZUUMA-QFIPXVFZSA-N
MW344.41 g/mol
LogP3.85
Rot. Bonds3

About N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide

N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (PubChem CID 73056275) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound NameN-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
PubChem CID73056275
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESCc1ccc([C@@]2(NC(=O)c3ccccc3)CCOc3cccnc32)cc1
InChIInChI=1S/C22H20N2O2/c1-16-9-11-18(12-10-16)22(24-21(25)17-6-3-2-4-7-17)13-15-26-19-8-5-14-23-20(19)22/h2-12,14H,13,15H2,1H3,(H,24,25)/t22-/m0/s1
InChIKeySOGDINHYJZUUMA-QFIPXVFZSA-N
XLogP3.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The IUPAC name of N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (CID 73056275) is N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.
What is the SMILES notation for N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The canonical SMILES for N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is Cc1ccc([C@@]2(NC(=O)c3ccccc3)CCOc3cccnc32)cc1.
What is the InChIKey of N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The InChIKey is SOGDINHYJZUUMA-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-16-9-11-18(12-10-16)22(24-21(25)17-6-3-2-4-7-17)13-15-26-19-8-5-14-23-20(19)22/h2-12,14H,13,15H2,1H3,(H,24,25)/t22-/m0/s1.
What are the key properties of N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide has a molecular weight of 344.41 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-(4-methylphenyl)-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 73056275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).