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

C19H31N5O2 — CID 70723129

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide
SMILESCCC(C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1)N1CCCC1
InChIInChI=1S/C19H31N5O2/c1-3-17(24-8-4-5-9-24)19(26)20-13-15-6-10-23(11-7-15)16-12-18(25)22(2)21-14-16/h12,14-15,17H,3-11,13H2,1-2H3,(H,20,26)
InChIKeyNVYQYCKLRKRGQJ-UHFFFAOYSA-N
MW361.49 g/mol
LogP0.99
Rot. Bonds6

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

N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide (PubChem CID 70723129) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide
PubChem CID70723129
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide
SMILESCCC(C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1)N1CCCC1
InChIInChI=1S/C19H31N5O2/c1-3-17(24-8-4-5-9-24)19(26)20-13-15-6-10-23(11-7-15)16-12-18(25)22(2)21-14-16/h12,14-15,17H,3-11,13H2,1-2H3,(H,20,26)
InChIKeyNVYQYCKLRKRGQJ-UHFFFAOYSA-N
XLogP0.99
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 ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide (CID 70723129) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide is CCC(C(=O)NCC1CCN(c2cnn(C)c(=O)c2)CC1)N1CCCC1.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide?
The InChIKey is NVYQYCKLRKRGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-3-17(24-8-4-5-9-24)19(26)20-13-15-6-10-23(11-7-15)16-12-18(25)22(2)21-14-16/h12,14-15,17H,3-11,13H2,1-2H3,(H,20,26).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide has a molecular weight of 361.49 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylbutanamide is sourced from PubChem (CID 70723129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).