N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide

C12H20N4O2 — CID 115317414

IUPACN-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H20N4O2/c1-8(2)9(13)4-5-16(3)12(18)10-6-15-11(17)7-14-10/h6-9H,4-5,13H2,1-3H3,(H,15,17)
InChIKeyUPNUBMQBRAKVJB-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.22
Rot. Bonds5

About N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide

N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide (PubChem CID 115317414) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
PubChem CID115317414
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C12H20N4O2/c1-8(2)9(13)4-5-16(3)12(18)10-6-15-11(17)7-14-10/h6-9H,4-5,13H2,1-3H3,(H,15,17)
InChIKeyUPNUBMQBRAKVJB-UHFFFAOYSA-N
XLogP0.22
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide
CID 62334561
N-(3-amino-4-methylpentyl)-5-bromo-N-methyl-6-oxo-1H-pyridine-3-carboxamide;hydrochloride
CID 119660821
N-(3-amino-4-methylpentyl)-N-methyl-1H-pyrazole-5-carboxamide;hydrochloride
CID 119658630
2-[methyl-(6-oxo-1H-pyrazine-3-carbonyl)amino]propanoic acid
CID 62627256
N-(3-amino-4-methylpentyl)-5-tert-butyl-N-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119660642
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-N-methyl-3H-benzimidazole-5-carboxamide
CID 115317434
N-methyl-6-oxo-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazine-3-carboxamide
CID 64510855
N-(3-amino-4-methylpentyl)-3,5-dihydroxy-N-methylbenzamide
CID 107705211
4-amino-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 122080936
5-(2-methylpropanoyl)-1H-pyrazin-2-one
CID 118220483
2-acetamido-N-(3-amino-4-methylpentyl)-N-methyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119659632

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide (CID 115317414) is N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide is CC(C)C(N)CCN(C)C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide?
The InChIKey is UPNUBMQBRAKVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8(2)9(13)4-5-16(3)12(18)10-6-15-11(17)7-14-10/h6-9H,4-5,13H2,1-3H3,(H,15,17).
What are the key properties of N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide?
N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-N-methyl-6-oxo-1H-pyrazine-3-carboxamide is sourced from PubChem (CID 115317414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).