3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen

C23H30N6O2 — CID 159487418

IUPAC3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESNc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H24N6O2.3H2/c24-21-20(22(30)27-18-5-2-1-3-6-18)28-19(15-26-21)16-7-9-17(10-8-16)23(31)29-13-4-11-25-12-14-29;;;/h1-3,5-10,15,25H,4,11-14H2,(H2,24,26)(H,27,30);3*1H
InChIKeyLXTGJJRYYGLDGU-UHFFFAOYSA-N
MW422.53 g/mol
LogP3.15
Rot. Bonds4

About 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen

3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen (PubChem CID 159487418) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
PubChem CID159487418
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen
SMILESNc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C23H24N6O2.3H2/c24-21-20(22(30)27-18-5-2-1-3-6-18)28-19(15-26-21)16-7-9-17(10-8-16)23(31)29-13-4-11-25-12-14-29;;;/h1-3,5-10,15,25H,4,11-14H2,(H2,24,26)(H,27,30);3*1H
InChIKeyLXTGJJRYYGLDGU-UHFFFAOYSA-N
XLogP3.15
TPSA113.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indol-6-yl)pyrazine-2-carboxamide
CID 130206360
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
3-amino-6-[4-(methylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 52937456
3-amino-6-[3-(4-methylpiperazine-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471661
N-[4-(1,4-diazepane-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119417229
3-amino-N-(1H-benzimidazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-N-(1,3-benzothiazol-2-yl)-6-[4-(1,4-diazepane-1-carbonyl)phenyl]pyrazine-2-carboxamide;3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-(1H-indazol-3-yl)pyrazine-2-carboxamide
CID 162160099
3-amino-N-phenyl-6-[4-(pyrrolidine-1-carbonyl)cyclohexa-1,3-dien-1-yl]pyrazine-2-carboxamide
CID 70883129
3-amino-6-[4-(hydroxymethyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471893
3-amino-N-phenyl-6-pyrimidin-5-ylpyrazine-2-carboxamide
CID 59471810
3-amino-6-[4-(oxan-4-ylcarbamoyl)phenyl]-N-phenylpyrazine-2-carboxamide
CID 59471720
3-amino-6-(3-cyanophenyl)-N-phenylpyrazine-2-carboxamide;molecular hydrogen
CID 157255124
1,4-diazepan-1-yl-[4-[5-methyl-6-(5-phenyl-1,3,4-thiadiazol-2-yl)pyrazin-2-yl]phenyl]methanone
CID 135137321

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen (CID 159487418) is 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen is Nc1ncc(-c2ccc(C(=O)N3CCCNCC3)cc2)nc1C(=O)Nc1ccccc1.[H][H].[H][H].[H][H].
What is the InChIKey of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
The InChIKey is LXTGJJRYYGLDGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2.3H2/c24-21-20(22(30)27-18-5-2-1-3-6-18)28-19(15-26-21)16-7-9-17(10-8-16)23(31)29-13-4-11-25-12-14-29;;;/h1-3,5-10,15,25H,4,11-14H2,(H2,24,26)(H,27,30);3*1H.
What are the key properties of 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen?
3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen has a molecular weight of 422.53 g/mol, XLogP of 3.15, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-(1,4-diazepane-1-carbonyl)phenyl]-N-phenylpyrazine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 159487418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).