N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide

C17H20N4O3 — CID 816538

IUPACN-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NC2CC2)Cc2ccco2)cn1
InChIInChI=1S/C17H20N4O3/c1-12-9-19-15(10-18-12)17(23)21(11-14-3-2-8-24-14)7-6-16(22)20-13-4-5-13/h2-3,8-10,13H,4-7,11H2,1H3,(H,20,22)
InChIKeySBBUHJOFTNMUEZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.69
Rot. Bonds7

About N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide

N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide (PubChem CID 816538) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
PubChem CID816538
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)N(CCC(=O)NC2CC2)Cc2ccco2)cn1
InChIInChI=1S/C17H20N4O3/c1-12-9-19-15(10-18-12)17(23)21(11-14-3-2-8-24-14)7-6-16(22)20-13-4-5-13/h2-3,8-10,13H,4-7,11H2,1H3,(H,20,22)
InChIKeySBBUHJOFTNMUEZ-UHFFFAOYSA-N
XLogP1.69
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5-methyl-N-[3-oxo-3-[[(1R)-1-phenylethyl]amino]propyl]pyrazine-2-carboxamide
CID 7232177
N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 4129422
N-cyclopropyl-N-[3-(furan-2-ylmethylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 42783081
N-[3-[4-(2-chlorophenyl)piperazin-1-yl]-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide
CID 1026321
N-[3-[(1-benzylpiperidin-1-ium-4-yl)amino]-3-oxopropyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 7419199
5-[furan-2-ylmethyl(2-methoxyethyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120685085
2-[acetyl(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 113161038
N-(furan-2-ylmethyl)-N-[3-(3-methoxypropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 3277023
N-benzyl-5-methyl-N-[3-(2-methylpropylamino)-3-oxopropyl]pyrazine-2-carboxamide
CID 4307801
3-cyclobutyl-1-ethyl-1-(furan-2-ylmethyl)urea
CID 115617674
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
N-benzyl-N-[3-(butylamino)-3-oxopropyl]-5-methylpyrazine-2-carboxamide
CID 4284505

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide (CID 816538) is N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)N(CCC(=O)NC2CC2)Cc2ccco2)cn1.
What is the InChIKey of N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?
The InChIKey is SBBUHJOFTNMUEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12-9-19-15(10-18-12)17(23)21(11-14-3-2-8-24-14)7-6-16(22)20-13-4-5-13/h2-3,8-10,13H,4-7,11H2,1H3,(H,20,22).
What are the key properties of N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide?
N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)-3-oxopropyl]-N-(furan-2-ylmethyl)-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 816538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).