4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen

C22H29N5O2 — CID 142167548

IUPAC4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen
SMILESCc1ccc(C(=O)NCCCc2ccccc2)cc1NC(=O)Nc1cnccn1.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H23N5O2.3H2/c1-16-9-10-18(21(28)25-11-5-8-17-6-3-2-4-7-17)14-19(16)26-22(29)27-20-15-23-12-13-24-20;;;/h2-4,6-7,9-10,12-15H,5,8,11H2,1H3,(H,25,28)(H2,24,26,27,29);3*1H
InChIKeyIAJZAMVJUXBVBQ-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.53
Rot. Bonds7

About 4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen

4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen (PubChem CID 142167548) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen.

Molecular Properties

Compound Name4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen
PubChem CID142167548
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen
SMILESCc1ccc(C(=O)NCCCc2ccccc2)cc1NC(=O)Nc1cnccn1.[H][H].[H][H].[H][H]
InChIInChI=1S/C22H23N5O2.3H2/c1-16-9-10-18(21(28)25-11-5-8-17-6-3-2-4-7-17)14-19(16)26-22(29)27-20-15-23-12-13-24-20;;;/h2-4,6-7,9-10,12-15H,5,8,11H2,1H3,(H,25,28)(H2,24,26,27,29);3*1H
InChIKeyIAJZAMVJUXBVBQ-UHFFFAOYSA-N
XLogP4.53
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen 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

1-(3-phenylpropyl)-3-pyrazin-2-ylurea
CID 108893900
N-[2-(benzenesulfonyl)ethyl]-3-methoxy-4-(pyrazin-2-ylcarbamoylamino)benzamide
CID 22046512
2-benzamido-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 67153857
N-[3-(dimethylamino)propyl]-4-(methoxymethyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide
CID 91485425
N-(3-phenylpropyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165110
2-(3-phenylpropylamino)-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 109171827
2-N-(3,4-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089036
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
2-N-(3,5-dimethylphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089037
2-N-(2-methoxyphenyl)-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089048
3-methoxy-N-(3-morpholin-4-ylpropyl)-4-(pyrazin-2-ylcarbamoylamino)benzamide
CID 22046301
2-N-phenyl-4-N-(3-phenylpropyl)pyridine-2,4-dicarboxamide
CID 109089027

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen?
The IUPAC name of 4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen (CID 142167548) is 4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen.
What is the SMILES notation for 4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen?
The canonical SMILES for 4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen is Cc1ccc(C(=O)NCCCc2ccccc2)cc1NC(=O)Nc1cnccn1.[H][H].[H][H].[H][H].
What is the InChIKey of 4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen?
The InChIKey is IAJZAMVJUXBVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2.3H2/c1-16-9-10-18(21(28)25-11-5-8-17-6-3-2-4-7-17)14-19(16)26-22(29)27-20-15-23-12-13-24-20;;;/h2-4,6-7,9-10,12-15H,5,8,11H2,1H3,(H,25,28)(H2,24,26,27,29);3*1H.
What are the key properties of 4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen?
4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen has a molecular weight of 395.51 g/mol, XLogP of 4.53, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(3-phenylpropyl)-3-(pyrazin-2-ylcarbamoylamino)benzamide;molecular hydrogen is sourced from PubChem (CID 142167548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).