N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide

C13H22N4O — CID 107374127

IUPACN-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NC(C)(C)CC)cn1
InChIInChI=1S/C13H22N4O/c1-5-7-14-11-9-15-10(8-16-11)12(18)17-13(3,4)6-2/h8-9H,5-7H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyBJRYVZSWGBKZKV-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.22
Rot. Bonds6

About N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide

N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide (PubChem CID 107374127) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
PubChem CID107374127
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide
SMILESCCCNc1cnc(C(=O)NC(C)(C)CC)cn1
InChIInChI=1S/C13H22N4O/c1-5-7-14-11-9-15-10(8-16-11)12(18)17-13(3,4)6-2/h8-9H,5-7H2,1-4H3,(H,14,16)(H,17,18)
InChIKeyBJRYVZSWGBKZKV-UHFFFAOYSA-N
XLogP2.22
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,3-dimethylbutyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376964
N-cycloheptyl-5-(propylamino)pyrazine-2-carboxamide
CID 109271032
N-(2-methoxyethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109270966
N-(2-methoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376810
N-(2-ethoxy-2-methylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107377139
5-(propylamino)-N-(2,3,3-trimethylbutyl)pyrazine-2-carboxamide
CID 107376665
N-(5-chloro-2-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374336
5-(propylamino)-N-(1H-pyrazol-4-yl)pyrazine-2-carboxamide
CID 107374526
N-(4-methylpentyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107375562
N-(2-cyclohexylethyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107374667
N-(3-cyclopentylpropyl)-5-(propylamino)pyrazine-2-carboxamide
CID 106015585
N-(6-methyl-3-pyridinyl)-5-(propylamino)pyrazine-2-carboxamide
CID 107376409

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide?
The IUPAC name of N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide (CID 107374127) is N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide is CCCNc1cnc(C(=O)NC(C)(C)CC)cn1.
What is the InChIKey of N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide?
The InChIKey is BJRYVZSWGBKZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-5-7-14-11-9-15-10(8-16-11)12(18)17-13(3,4)6-2/h8-9H,5-7H2,1-4H3,(H,14,16)(H,17,18).
What are the key properties of N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide?
N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-5-(propylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 107374127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).