N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

C16H17N3O — CID 166316460

IUPACN-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCCCc2ccccc21
InChIInChI=1S/C16H17N3O/c20-16(18-14-8-5-10-17-12-14)19-11-4-3-7-13-6-1-2-9-15(13)19/h1-2,5-6,8-10,12H,3-4,7,11H2,(H,18,20)
InChIKeyFATHECBWUJAATO-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.46
Rot. Bonds1

About N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide

N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (PubChem CID 166316460) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.

Molecular Properties

Compound NameN-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
PubChem CID166316460
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
SMILESO=C(Nc1cccnc1)N1CCCCc2ccccc21
InChIInChI=1S/C16H17N3O/c20-16(18-14-8-5-10-17-12-14)19-11-4-3-7-13-6-1-2-9-15(13)19/h1-2,5-6,8-10,12H,3-4,7,11H2,(H,18,20)
InChIKeyFATHECBWUJAATO-UHFFFAOYSA-N
XLogP3.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338657
N-(4-hydroxyphenyl)-3,4,5,6-tetrahydro-2H-1-benzazocine-1-carboxamide
CID 69223923
N-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]phenyl]-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 46338653
N-(1H-1,2,4-triazol-5-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 45087001
N-(3-hydroxy-4-methoxyphenyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69224339
N-(1-methyl-6-oxo-3-pyridinyl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220949
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 138054103
6-iodo-5-methyl-N-pyridin-3-yl-2,3-dihydroindole-1-carboxamide
CID 10595858
N-cyclopropyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 113225655
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
N-(triazol-1-yl)-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69221941
N-[3-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 894781

Frequently Asked Questions

What is the IUPAC name of N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The IUPAC name of N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide (CID 166316460) is N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide.
What is the SMILES notation for N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The canonical SMILES for N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is O=C(Nc1cccnc1)N1CCCCc2ccccc21.
What is the InChIKey of N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
The InChIKey is FATHECBWUJAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c20-16(18-14-8-5-10-17-12-14)19-11-4-3-7-13-6-1-2-9-15(13)19/h1-2,5-6,8-10,12H,3-4,7,11H2,(H,18,20).
What are the key properties of N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide?
N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide is sourced from PubChem (CID 166316460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).