5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide

C19H20N6O — CID 166299507

IUPAC5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide
SMILESO=C(Nc1ccc2cccnc2c1)c1cnc(N2CCCNCC2)cn1
InChIInChI=1S/C19H20N6O/c26-19(24-15-5-4-14-3-1-7-21-16(14)11-15)17-12-23-18(13-22-17)25-9-2-6-20-8-10-25/h1,3-5,7,11-13,20H,2,6,8-10H2,(H,24,26)
InChIKeyDJCMCSMLHZANER-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.08
Rot. Bonds3

About 5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide

5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide (PubChem CID 166299507) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide
PubChem CID166299507
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide
SMILESO=C(Nc1ccc2cccnc2c1)c1cnc(N2CCCNCC2)cn1
InChIInChI=1S/C19H20N6O/c26-19(24-15-5-4-14-3-1-7-21-16(14)11-15)17-12-23-18(13-22-17)25-9-2-6-20-8-10-25/h1,3-5,7,11-13,20H,2,6,8-10H2,(H,24,26)
InChIKeyDJCMCSMLHZANER-UHFFFAOYSA-N
XLogP2.08
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-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

N-(3,4-dimethylphenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286623
5-(azepan-1-yl)-N-(4-chlorophenyl)pyrazine-2-carboxamide
CID 109289339
N-(3,4-difluorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286726
5-(azepan-1-yl)-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 109289409
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride
CID 21072733
5-(azepan-1-yl)-N-(3,4-dimethoxyphenyl)pyrazine-2-carboxamide
CID 109289360
N-(5-benzyl-1-methylpyrazol-4-yl)-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 167815355
N-(3,5-dichlorophenyl)-5-piperidin-1-ylpyrazine-2-carboxamide
CID 109274620
N-(3-chlorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286633
4-(1,1-dioxo-1,2,6-thiadiazinan-2-yl)-N-quinolin-7-ylbenzamide
CID 118466685
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 58780359
N-(4-cyanophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109286642

Frequently Asked Questions

What is the IUPAC name of 5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide?
The IUPAC name of 5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide (CID 166299507) is 5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide.
What is the SMILES notation for 5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide?
The canonical SMILES for 5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide is O=C(Nc1ccc2cccnc2c1)c1cnc(N2CCCNCC2)cn1.
What is the InChIKey of 5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide?
The InChIKey is DJCMCSMLHZANER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-19(24-15-5-4-14-3-1-7-21-16(14)11-15)17-12-23-18(13-22-17)25-9-2-6-20-8-10-25/h1,3-5,7,11-13,20H,2,6,8-10H2,(H,24,26).
What are the key properties of 5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide?
5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,4-diazepan-1-yl)-N-quinolin-7-ylpyrazine-2-carboxamide is sourced from PubChem (CID 166299507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).