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

C17H29N5O2 — CID 70717449

IUPACN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(C)CCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C17H29N5O2/c1-13(2)20(3)7-6-16(23)18-10-14-5-8-22(12-14)15-9-17(24)21(4)19-11-15/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,18,23)
InChIKeyBXCGNGUGOPZGMT-UHFFFAOYSA-N
MW335.45 g/mol
LogP0.45
Rot. Bonds7

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

N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide (PubChem CID 70717449) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide
PubChem CID70717449
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC NameN-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide
SMILESCC(C)N(C)CCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1
InChIInChI=1S/C17H29N5O2/c1-13(2)20(3)7-6-16(23)18-10-14-5-8-22(12-14)15-9-17(24)21(4)19-11-15/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,18,23)
InChIKeyBXCGNGUGOPZGMT-UHFFFAOYSA-N
XLogP0.45
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-4-piperidinyl]methyl}-3-(1-pyrrolidinyl)propanamide
CID 70759750
1-(1-methyl-6-oxopyridazin-4-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-3-carboxamide
CID 53203878
N-[(1-Ethylpyrrolidin-2-YL)methyl]-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-4-carboxamide
CID 53202102
1-(6-Oxo-1-propyl-1,6-dihydropyridazin-4-YL)-N-[3-(2-oxopyrrolidin-1-YL)propyl]piperidine-4-carboxamide
CID 53202145
N-(1-ethylpropyl)-1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-yl)piperidine-3-carboxamide
CID 53203884
N-cyclopentyl-1-(1-methyl-6-oxopyridazin-4-yl)piperidine-3-carboxamide
CID 53203914
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-pyrrolidinyl)propanamide
CID 70721532
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(2-oxo-1-pyrrolidinyl)acetamide
CID 70733059
1,6-dimethyl-N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 70734562
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-3-(2-oxo-1-piperidinyl)propanamide
CID 70739487
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

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide?
The IUPAC name of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide (CID 70717449) is N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide.
What is the SMILES notation for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide?
The canonical SMILES for N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide is CC(C)N(C)CCC(=O)NCC1CCN(c2cnn(C)c(=O)c2)C1.
What is the InChIKey of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide?
The InChIKey is BXCGNGUGOPZGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-13(2)20(3)7-6-16(23)18-10-14-5-8-22(12-14)15-9-17(24)21(4)19-11-15/h9,11,13-14H,5-8,10,12H2,1-4H3,(H,18,23).
What are the key properties of N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide?
N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide has a molecular weight of 335.45 g/mol, XLogP of 0.45, 7 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)pyrrolidin-3-yl]methyl]-3-[methyl(propan-2-yl)amino]propanamide is sourced from PubChem (CID 70717449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).