1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide

C12H16N4O2 — CID 71980542

IUPAC1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCCn2cccc2)CCC1=O
InChIInChI=1S/C12H16N4O2/c1-15-11(17)5-4-10(14-15)12(18)13-6-9-16-7-2-3-8-16/h2-3,7-8H,4-6,9H2,1H3,(H,13,18)
InChIKeyRTAPRTBDEFETDM-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.21
Rot. Bonds4

About 1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide

1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide (PubChem CID 71980542) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide
PubChem CID71980542
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide
SMILESCN1N=C(C(=O)NCCn2cccc2)CCC1=O
InChIInChI=1S/C12H16N4O2/c1-15-11(17)5-4-10(14-15)12(18)13-6-9-16-7-2-3-8-16/h2-3,7-8H,4-6,9H2,1H3,(H,13,18)
InChIKeyRTAPRTBDEFETDM-UHFFFAOYSA-N
XLogP0.21
TPSA66.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-6-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72936372
1-ethyl-3-methyl-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72845943
2-(1-ethyl-4-piperidinyl)-N-[2-(1H-pyrrol-1-yl)ethyl]acetamide
CID 72877977
4-(1-piperidinyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide
CID 72884349
1-isopropyl-N-[2-(1H-pyrrol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72920427
2-(1-isopropyl-4-piperidinyl)-N-[2-(1H-pyrrol-1-yl)ethyl]acetamide
CID 72926601
3-(1-methyl-2-piperidinyl)-N-[2-(1H-pyrrol-1-yl)ethyl]propanamide
CID 72935048
2-[6-oxo-3-(trifluoromethyl)-1,6-dihydropyridazin-1-yl]-N-[2-(1H-pyrrol-1-yl)ethyl]propanamide
CID 145875433
N-cyclopentyl-2-pyrrol-1-ylpropanamide
CID 23603041
N-(3-(1H-pyrrol-1-yl)propyl)-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 49670799
N-cyclohexyl-2-pyrrol-1-ylpropanamide
CID 126459248
2-Methyl-N-[2-(1H-pyrrol-1-yl)ethyl]propanamide
CID 12741624

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide (CID 71980542) is 1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide is CN1N=C(C(=O)NCCn2cccc2)CCC1=O.
What is the InChIKey of 1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is RTAPRTBDEFETDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-15-11(17)5-4-10(14-15)12(18)13-6-9-16-7-2-3-8-16/h2-3,7-8H,4-6,9H2,1H3,(H,13,18).
What are the key properties of 1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide?
1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 248.29 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-(2-pyrrol-1-ylethyl)-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 71980542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).