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

C15H25N5O2 — CID 56892430

IUPAC3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1ncc(N2CCC(CN)C2)cc1=O
InChIInChI=1S/C15H25N5O2/c1-11(2)18-14(21)4-6-20-15(22)7-13(9-17-20)19-5-3-12(8-16)10-19/h7,9,11-12H,3-6,8,10,16H2,1-2H3,(H,18,21)
InChIKeyAGMUIZCTFXORDE-UHFFFAOYSA-N
MW307.40 g/mol
LogP-0.06
Rot. Bonds6

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

3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide (PubChem CID 56892430) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide
PubChem CID56892430
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCn1ncc(N2CCC(CN)C2)cc1=O
InChIInChI=1S/C15H25N5O2/c1-11(2)18-14(21)4-6-20-15(22)7-13(9-17-20)19-5-3-12(8-16)10-19/h7,9,11-12H,3-6,8,10,16H2,1-2H3,(H,18,21)
InChIKeyAGMUIZCTFXORDE-UHFFFAOYSA-N
XLogP-0.06
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide (CID 56892430) is 3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCn1ncc(N2CCC(CN)C2)cc1=O.
What is the InChIKey of 3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide?
The InChIKey is AGMUIZCTFXORDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-11(2)18-14(21)4-6-20-15(22)7-13(9-17-20)19-5-3-12(8-16)10-19/h7,9,11-12H,3-6,8,10,16H2,1-2H3,(H,18,21).
What are the key properties of 3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide?
3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide has a molecular weight of 307.40 g/mol, XLogP of -0.06, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(aminomethyl)pyrrolidin-1-yl]-6-oxopyridazin-1-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 56892430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).