N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

C17H22ClN5O2 — CID 72910701

IUPACN-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(Cl)nn2)CC1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H22ClN5O2/c18-14-3-4-15(21-20-14)22-7-5-12(6-8-22)19-17(25)11-9-16(24)23(10-11)13-1-2-13/h3-4,11-13H,1-2,5-10H2,(H,19,25)
InChIKeyHYGWXJOAVIIHID-UHFFFAOYSA-N
MW363.85 g/mol
LogP1.23
Rot. Bonds4

About N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide

N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 72910701) has the molecular formula C17H22ClN5O2 and a molecular weight of 363.85 g/mol. Its IUPAC name is N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
PubChem CID72910701
Molecular FormulaC17H22ClN5O2
Molecular Weight363.85 g/mol
Exact Mass363.15
IUPAC NameN-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
SMILESO=C(NC1CCN(c2ccc(Cl)nn2)CC1)C1CC(=O)N(C2CC2)C1
InChIInChI=1S/C17H22ClN5O2/c18-14-3-4-15(21-20-14)22-7-5-12(6-8-22)19-17(25)11-9-16(24)23(10-11)13-1-2-13/h3-4,11-13H,1-2,5-10H2,(H,19,25)
InChIKeyHYGWXJOAVIIHID-UHFFFAOYSA-N
XLogP1.23
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N,1-dicyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 6938538
(3R)-1-cyclopropyl-N-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 94008544
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
CID 15124700
(3R)-N-[1-(cyclohexylmethyl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 95164310
(3S)-N-(1-benzylpiperidin-4-yl)-1-(6-chloropyridazin-3-yl)piperidine-3-carboxamide
CID 96558501
CID 59303878
CID 59303878
(3R)-N-(1-methylpiperidin-4-yl)-1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 97040965
4-(6-chloropyridazin-3-yl)-N-cyclopropylmorpholine-3-carboxamide
CID 83102986
1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 35367631
tert-butyl N-piperidin-4-ylcarbamate;[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamic acid
CID 87793274
(2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97278500
1-cyclopropyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 60717522

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide (CID 72910701) is N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is O=C(NC1CCN(c2ccc(Cl)nn2)CC1)C1CC(=O)N(C2CC2)C1.
What is the InChIKey of N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HYGWXJOAVIIHID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN5O2/c18-14-3-4-15(21-20-14)22-7-5-12(6-8-22)19-17(25)11-9-16(24)23(10-11)13-1-2-13/h3-4,11-13H,1-2,5-10H2,(H,19,25).
What are the key properties of N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide?
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 72910701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).