N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide

C18H22N4O — CID 109272218

IUPACN-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C18H22N4O/c1-4-10-19-17-12-20-16(11-21-17)18(23)22(14(2)3)13-15-8-6-5-7-9-15/h4-9,11-12,14H,1,10,13H2,2-3H3,(H,19,21)
InChIKeyJGKAKJHNKBRTAR-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.13
Rot. Bonds7

About N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide

N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide (PubChem CID 109272218) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide
PubChem CID109272218
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide
SMILESC=CCNc1cnc(C(=O)N(Cc2ccccc2)C(C)C)cn1
InChIInChI=1S/C18H22N4O/c1-4-10-19-17-12-20-16(11-21-17)18(23)22(14(2)3)13-15-8-6-5-7-9-15/h4-9,11-12,14H,1,10,13H2,2-3H3,(H,19,21)
InChIKeyJGKAKJHNKBRTAR-UHFFFAOYSA-N
XLogP3.13
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-propan-2-yl-5-(2-propan-2-ylanilino)pyrazine-2-carboxamide
CID 109287676
N-benzyl-5-(cyclohexylamino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109274885
N-benzyl-5-(2-chloroanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287680
5-(4-acetylanilino)-N-benzyl-N-propan-2-ylpyrazine-2-carboxamide
CID 109287695
N-benzyl-5-chloro-N-propan-2-ylpyrazine-2-carboxamide
CID 103817103
N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272245
N-benzyl-5-(2,3-dimethylanilino)-N-propan-2-ylpyrazine-2-carboxamide
CID 109287672
5-(3-phenylpropylamino)-N-prop-2-enylpyrazine-2-carboxamide
CID 109272017
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
N-benzyl-6-(2-phenylethylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109158221
N-benzyl-5-(dipropylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109195430
N-benzyl-5-(butylamino)-N-ethylpyrazine-2-carboxamide
CID 109272566

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide (CID 109272218) is N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide is C=CCNc1cnc(C(=O)N(Cc2ccccc2)C(C)C)cn1.
What is the InChIKey of N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide?
The InChIKey is JGKAKJHNKBRTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-10-19-17-12-20-16(11-21-17)18(23)22(14(2)3)13-15-8-6-5-7-9-15/h4-9,11-12,14H,1,10,13H2,2-3H3,(H,19,21).
What are the key properties of N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide?
N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-5-(prop-2-enylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 109272218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).