N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide

C21H21ClN4O — CID 109287092

IUPACN-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C21H21ClN4O/c1-15-12-17(22)9-10-18(15)26-21(27)19-13-25-20(14-24-19)23-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,23,25)(H,26,27)
InChIKeyNBSJFRAFTVIZAF-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.74
Rot. Bonds7

About N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide

N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide (PubChem CID 109287092) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
PubChem CID109287092
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1cnc(NCCCc2ccccc2)cn1
InChIInChI=1S/C21H21ClN4O/c1-15-12-17(22)9-10-18(15)26-21(27)19-13-25-20(14-24-19)23-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,23,25)(H,26,27)
InChIKeyNBSJFRAFTVIZAF-UHFFFAOYSA-N
XLogP4.74
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylphenyl)-5-(2-phenylethylamino)pyrazine-2-carboxamide
CID 109283937
N-(3,4-difluorophenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287128
5-[2-(3-chlorophenyl)ethylamino]-N-(2-methylphenyl)pyrazine-2-carboxamide
CID 109289155
N-(4-chloro-2-methylphenyl)-5-(2-methylpropylamino)pyrazine-2-carboxamide
CID 109273038
N-(4-tert-butylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287084
N-(2-ethyl-6-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287079
N-(4-chloro-2-methylphenyl)-5-[(4-fluorophenyl)methylamino]pyrazine-2-carboxamide
CID 109281739
N-(2,4-dimethylphenyl)-6-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109353528
N-tert-butyl-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109287052
N-[(2-methylphenyl)methyl]-5-(3-phenylpropylamino)pyrazine-2-carboxamide
CID 109279989
1-(4-chloro-2-methylphenyl)-3-(3-phenylpropyl)urea
CID 108990499
5-(5-chloro-2-methylanilino)-N-(2-phenylethyl)pyrazine-2-carboxamide
CID 109283846

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide (CID 109287092) is N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1cnc(NCCCc2ccccc2)cn1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
The InChIKey is NBSJFRAFTVIZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-15-12-17(22)9-10-18(15)26-21(27)19-13-25-20(14-24-19)23-11-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-10,12-14H,5,8,11H2,1H3,(H,23,25)(H,26,27).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.74, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-(3-phenylpropylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109287092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).