2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide

C19H31N5O2 — CID 70759750

IUPAC2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide
SMILESCC(CN1CCCC1)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C19H31N5O2/c1-15(14-23-7-3-4-8-23)19(26)20-12-16-5-9-24(10-6-16)17-11-18(25)22(2)21-13-17/h11,13,15-16H,3-10,12,14H2,1-2H3,(H,20,26)
InChIKeySWSWPOMBIIVDEB-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.84
Rot. Bonds6

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

2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide (PubChem CID 70759750) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is 2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide
PubChem CID70759750
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC Name2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide
SMILESCC(CN1CCCC1)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1
InChIInChI=1S/C19H31N5O2/c1-15(14-23-7-3-4-8-23)19(26)20-12-16-5-9-24(10-6-16)17-11-18(25)22(2)21-13-17/h11,13,15-16H,3-10,12,14H2,1-2H3,(H,20,26)
InChIKeySWSWPOMBIIVDEB-UHFFFAOYSA-N
XLogP0.84
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide (CID 70759750) is 2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide is CC(CN1CCCC1)C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1.
What is the InChIKey of 2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide?
The InChIKey is SWSWPOMBIIVDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15(14-23-7-3-4-8-23)19(26)20-12-16-5-9-24(10-6-16)17-11-18(25)22(2)21-13-17/h11,13,15-16H,3-10,12,14H2,1-2H3,(H,20,26).
What are the key properties of 2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide?
2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide has a molecular weight of 361.49 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 70759750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).