2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide

C15H25N5O2 — CID 56915838

IUPAC2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ncc(N2CCC(CN)C2)cc1=O
InChIInChI=1S/C15H25N5O2/c1-11(2)18(3)15(22)10-20-14(21)6-13(8-17-20)19-5-4-12(7-16)9-19/h6,8,11-12H,4-5,7,9-10,16H2,1-3H3
InChIKeyFCWCYAQNDCFKBN-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.10
Rot. Bonds5

About 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide

2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 56915838) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID56915838
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)Cn1ncc(N2CCC(CN)C2)cc1=O
InChIInChI=1S/C15H25N5O2/c1-11(2)18(3)15(22)10-20-14(21)6-13(8-17-20)19-5-4-12(7-16)9-19/h6,8,11-12H,4-5,7,9-10,16H2,1-3H3
InChIKeyFCWCYAQNDCFKBN-UHFFFAOYSA-N
XLogP-0.10
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide with MolForge

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Related Compounds

1-isopropyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-L-prolinamide
CID 70780050
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(4-morpholinyl)acetamide
CID 70715217
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 70733059
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
N-ethyl-N-methyl-N'-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}sulfamide
CID 70768852
1-(6-Oxo-1,6-dihydropyridazin-4-YL)-N-(pentan-3-YL)pyrrolidine-3-carboxamide
CID 91909551
N-[3-[bis(2-methylpropyl)amino]propyl]-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 91920262
2-(Dimethylamino)-N-[1-(1-ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]acetamide
CID 91924057
N-(cyclopropylmethyl)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidine-3-carboxamide
CID 110196819
N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}glycinamide
CID 70761816
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3(2H)-one
CID 72876309
2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-(1,1-dimethylpropyl)acetamide
CID 72901531

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide (CID 56915838) is 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)Cn1ncc(N2CCC(CN)C2)cc1=O.
What is the InChIKey of 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is FCWCYAQNDCFKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(2)18(3)15(22)10-20-14(21)6-13(8-17-20)19-5-4-12(7-16)9-19/h6,8,11-12H,4-5,7,9-10,16H2,1-3H3.
What are the key properties of 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide?
2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 307.40 g/mol, XLogP of -0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 56915838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).