N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide

C23H23N3O2 — CID 166220707

IUPACN-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CCNCC2)c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C23H23N3O2/c1-26(20-7-9-21(10-8-20)28-22-4-2-3-13-25-22)23(27)19-6-5-17-11-14-24-15-12-18(17)16-19/h2-10,13,16,24H,11-12,14-15H2,1H3
InChIKeyPPAWJGDUYRNZRV-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.84
Rot. Bonds4

About N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide

N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide (PubChem CID 166220707) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
PubChem CID166220707
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide
SMILESCN(C(=O)c1ccc2c(c1)CCNCC2)c1ccc(Oc2ccccn2)cc1
InChIInChI=1S/C23H23N3O2/c1-26(20-7-9-21(10-8-20)28-22-4-2-3-13-25-22)23(27)19-6-5-17-11-14-24-15-12-18(17)16-19/h2-10,13,16,24H,11-12,14-15H2,1H3
InChIKeyPPAWJGDUYRNZRV-UHFFFAOYSA-N
XLogP3.84
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide?
The IUPAC name of N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide (CID 166220707) is N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide.
What is the SMILES notation for N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide?
The canonical SMILES for N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide is CN(C(=O)c1ccc2c(c1)CCNCC2)c1ccc(Oc2ccccn2)cc1.
What is the InChIKey of N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide?
The InChIKey is PPAWJGDUYRNZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-26(20-7-9-21(10-8-20)28-22-4-2-3-13-25-22)23(27)19-6-5-17-11-14-24-15-12-18(17)16-19/h2-10,13,16,24H,11-12,14-15H2,1H3.
What are the key properties of N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide?
N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-pyridin-2-yloxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7-carboxamide is sourced from PubChem (CID 166220707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).