N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide

C18H29N5O2 — CID 91920236

IUPACN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1)C1CCCCC1
InChIInChI=1S/C18H29N5O2/c1-22(15-5-3-2-4-6-15)10-8-19-18(25)14-7-9-23(13-14)16-11-17(24)21-20-12-16/h11-12,14-15H,2-10,13H2,1H3,(H,19,25)(H,21,24)
InChIKeyJWCRXCQLILKGPB-UHFFFAOYSA-N
MW347.46 g/mol
LogP0.98
Rot. Bonds6

About N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide

N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (PubChem CID 91920236) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
PubChem CID91920236
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC NameN-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide
SMILESCN(CCNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1)C1CCCCC1
InChIInChI=1S/C18H29N5O2/c1-22(15-5-3-2-4-6-15)10-8-19-18(25)14-7-9-23(13-14)16-11-17(24)21-20-12-16/h11-12,14-15H,2-10,13H2,1H3,(H,19,25)(H,21,24)
InChIKeyJWCRXCQLILKGPB-UHFFFAOYSA-N
XLogP0.98
TPSA81.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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
1-(6-oxo-1H-pyridazin-4-yl)-N-pentan-3-ylpiperidine-4-carboxamide
CID 53202016
N-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-4-carboxamide
CID 53202065
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(1-methyl-6-oxopyridazin-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-cyclohexyl-1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxamide
CID 53203846
N-{2-[Cyclohexyl(methyl)amino]ethyl}-1-(6-oxo-1,6-dihydropyridazin-4-YL)piperidine-3-carboxamide
CID 53203862
N-{2-[Cyclohexyl(methyl)amino]ethyl}-1-(1-methyl-6-oxo-16-dihydropyridazin-4-YL)piperidine-3-carboxamide
CID 53204003
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}-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

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide (CID 91920236) is N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is CN(CCNC(=O)C1CCN(c2cn[nH]c(=O)c2)C1)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is JWCRXCQLILKGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-22(15-5-3-2-4-6-15)10-8-19-18(25)14-7-9-23(13-14)16-11-17(24)21-20-12-16/h11-12,14-15H,2-10,13H2,1H3,(H,19,25)(H,21,24).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide?
N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]ethyl]-1-(6-oxo-1H-pyridazin-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91920236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).