7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

C20H19N5O — CID 118124738

IUPAC7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESO=C(Nc1ccncc1)N1CCCNc2ccc(-c3ccccc3)nc21
InChIInChI=1S/C20H19N5O/c26-20(23-16-9-12-21-13-10-16)25-14-4-11-22-18-8-7-17(24-19(18)25)15-5-2-1-3-6-15/h1-3,5-10,12-13,22H,4,11,14H2,(H,21,23,26)
InChIKeyYJONZHNVLVGGLB-UHFFFAOYSA-N
MW345.41 g/mol
LogP4.00
Rot. Bonds2

About 7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide

7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (PubChem CID 118124738) has the molecular formula C20H19N5O and a molecular weight of 345.41 g/mol. Its IUPAC name is 7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.

Molecular Properties

Compound Name7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
PubChem CID118124738
Molecular FormulaC20H19N5O
Molecular Weight345.41 g/mol
Exact Mass345.16
IUPAC Name7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
SMILESO=C(Nc1ccncc1)N1CCCNc2ccc(-c3ccccc3)nc21
InChIInChI=1S/C20H19N5O/c26-20(23-16-9-12-21-13-10-16)25-14-4-11-22-18-8-7-17(24-19(18)25)15-5-2-1-3-6-15/h1-3,5-10,12-13,22H,4,11,14H2,(H,21,23,26)
InChIKeyYJONZHNVLVGGLB-UHFFFAOYSA-N
XLogP4.00
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-phenylphenyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125146
N-(5-fluoro-3-pyridinyl)-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124828
N-pyrimidin-5-yl-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124647
N-(3-acetylphenyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125184
N-[3-[3-(trifluoromethyl)diaziridin-3-yl]phenyl]-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118133066
N-(2-tert-butylphenyl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124695
N-[3-[4-(aminomethyl)triazol-1-yl]phenyl]-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125128
N-(3-fluoro-4-pyridinyl)-2-[3-(trifluoromethyl)phenyl]-6,7,8,9-tetrahydro-5H-pyrido[2,3-b][1,4]diazocine-10-carboxamide
CID 118124666
N-[3-[5-(aminomethyl)triazol-1-yl]phenyl]-7-(3-methylphenyl)-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125160
N-[3-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]phenyl]-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118125157
N-(4,5-dimethyl-1,3-thiazol-2-yl)-7-[3-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124669
7-(2-methylpyrazol-3-yl)-N-pyrazin-2-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide
CID 118124972

Frequently Asked Questions

What is the IUPAC name of 7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The IUPAC name of 7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide (CID 118124738) is 7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide.
What is the SMILES notation for 7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The canonical SMILES for 7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is O=C(Nc1ccncc1)N1CCCNc2ccc(-c3ccccc3)nc21.
What is the InChIKey of 7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
The InChIKey is YJONZHNVLVGGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O/c26-20(23-16-9-12-21-13-10-16)25-14-4-11-22-18-8-7-17(24-19(18)25)15-5-2-1-3-6-15/h1-3,5-10,12-13,22H,4,11,14H2,(H,21,23,26).
What are the key properties of 7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide?
7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide has a molecular weight of 345.41 g/mol, XLogP of 4.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-phenyl-N-pyridin-4-yl-1,2,3,4-tetrahydropyrido[2,3-b][1,4]diazepine-5-carboxamide is sourced from PubChem (CID 118124738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).