4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide

C17H19ClN4O2 — CID 142622847

IUPAC4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc(O)cn1)N1CCCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN4O2/c18-13-2-4-14(5-3-13)21-8-1-9-22(11-10-21)17(24)20-16-7-6-15(23)12-19-16/h2-7,12,23H,1,8-11H2,(H,19,20,24)
InChIKeyYYVLJJZITDMIRW-UHFFFAOYSA-N
MW346.82 g/mol
LogP3.18
Rot. Bonds2

About 4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide

4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide (PubChem CID 142622847) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide
PubChem CID142622847
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide
SMILESO=C(Nc1ccc(O)cn1)N1CCCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H19ClN4O2/c18-13-2-4-14(5-3-13)21-8-1-9-22(11-10-21)17(24)20-16-7-6-15(23)12-19-16/h2-7,12,23H,1,8-11H2,(H,19,20,24)
InChIKeyYYVLJJZITDMIRW-UHFFFAOYSA-N
XLogP3.18
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(4-chlorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
CID 113112990
4-(5-cyano-2-pyridinyl)-N-(5-hydroxy-2-pyridinyl)piperazine-1-carboxamide
CID 142622759
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-phenylpiperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-phenylpiperazine-1-carboxamide;oxolane;hydrochloride
CID 159942078
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(5-hydroxy-2-pyridinyl)acetamide
CID 135126584
4-(2,4-dichlorophenyl)-N-(5-methyl-2-pyridinyl)piperazine-1-carboxamide
CID 159848702
N-(3-chlorophenyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 5215586
N-[5-[tert-butyl(dimethyl)silyl]oxy-2-pyridinyl]-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide;N-(5-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 161263734
tert-butyl 4-[4-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]carbamoyl]phenyl]-1,4-diazepane-1-carboxylate
CID 21075308
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
CID 113024603
N-(4,6-dimethyl-2-pyridinyl)-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 86793401
1,2-bis[4-(4-chlorophenyl)piperazin-1-yl]ethanone
CID 122195196
4-(3-chloro-4-methylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 162643725

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide (CID 142622847) is 4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide is O=C(Nc1ccc(O)cn1)N1CCCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide?
The InChIKey is YYVLJJZITDMIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-13-2-4-14(5-3-13)21-8-1-9-22(11-10-21)17(24)20-16-7-6-15(23)12-19-16/h2-7,12,23H,1,8-11H2,(H,19,20,24).
What are the key properties of 4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide?
4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide has a molecular weight of 346.82 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-(5-hydroxy-2-pyridinyl)-1,4-diazepane-1-carboxamide is sourced from PubChem (CID 142622847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).