N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide

C22H24N4O — CID 109273461

IUPACN-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide
SMILESCCC(C)Nc1cnc(C(=O)N(Cc2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H24N4O/c1-3-17(2)25-21-15-23-20(14-24-21)22(27)26(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-15,17H,3,16H2,1-2H3,(H,24,25)
InChIKeyBDXQLMFMSYXQCB-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.53
Rot. Bonds7

About N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide

N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide (PubChem CID 109273461) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide
PubChem CID109273461
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide
SMILESCCC(C)Nc1cnc(C(=O)N(Cc2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C22H24N4O/c1-3-17(2)25-21-15-23-20(14-24-21)22(27)26(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-15,17H,3,16H2,1-2H3,(H,24,25)
InChIKeyBDXQLMFMSYXQCB-UHFFFAOYSA-N
XLogP4.53
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-benzyl-4-N-butan-2-yl-2-N-phenylpyridine-2,4-dicarboxamide
CID 109080088
4-N-benzyl-1-N-butan-2-yl-4-N-phenylbenzene-1,4-dicarboxamide
CID 109044170
N-benzyl-6-(butan-2-ylamino)-N-methylpyrimidine-4-carboxamide
CID 109340595
N-benzyl-6-(butan-2-ylamino)-N-ethylpyrimidine-4-carboxamide
CID 109340603
[5-(butan-2-ylamino)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109273397
N-ethyl-N-(3-methylphenyl)-5-(propan-2-ylamino)pyrazine-2-carboxamide
CID 109271545
N-ethyl-N-phenyl-5-(prop-2-enylamino)pyrazine-2-carboxamide
CID 109272245
5-[(4-chlorophenyl)methylamino]-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109282125
N-ethyl-5-[(4-fluorophenyl)methylamino]-N-phenylpyrazine-2-carboxamide
CID 109281723
5-[1-(dimethylamino)propan-2-ylamino]pyrazine-2-carboxylic acid
CID 82949530
N-ethyl-5-(4-fluoroanilino)-N-phenylpyrazine-2-carboxamide
CID 109291715
5-(2,6-difluoroanilino)-N-ethyl-N-phenylpyrazine-2-carboxamide
CID 109291773

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide?
The IUPAC name of N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide (CID 109273461) is N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide.
What is the SMILES notation for N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide?
The canonical SMILES for N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide is CCC(C)Nc1cnc(C(=O)N(Cc2ccccc2)c2ccccc2)cn1.
What is the InChIKey of N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide?
The InChIKey is BDXQLMFMSYXQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-17(2)25-21-15-23-20(14-24-21)22(27)26(19-12-8-5-9-13-19)16-18-10-6-4-7-11-18/h4-15,17H,3,16H2,1-2H3,(H,24,25).
What are the key properties of N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide?
N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(butan-2-ylamino)-N-phenylpyrazine-2-carboxamide is sourced from PubChem (CID 109273461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).