N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide

C16H19ClN6O — CID 56778190

IUPACN-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide
SMILESO=C(CNCC1CCCN1c1cccnn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H19ClN6O/c17-12-5-6-14(19-9-12)21-16(24)11-18-10-13-3-2-8-23(13)15-4-1-7-20-22-15/h1,4-7,9,13,18H,2-3,8,10-11H2,(H,19,21,24)
InChIKeyZOPLUSSQRHVSIC-UHFFFAOYSA-N
MW346.82 g/mol
LogP1.72
Rot. Bonds6

About N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide

N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide (PubChem CID 56778190) has the molecular formula C16H19ClN6O and a molecular weight of 346.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide
PubChem CID56778190
Molecular FormulaC16H19ClN6O
Molecular Weight346.82 g/mol
Exact Mass346.13
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide
SMILESO=C(CNCC1CCCN1c1cccnn1)Nc1ccc(Cl)cn1
InChIInChI=1S/C16H19ClN6O/c17-12-5-6-14(19-9-12)21-16(24)11-18-10-13-3-2-8-23(13)15-4-1-7-20-22-15/h1,4-7,9,13,18H,2-3,8,10-11H2,(H,19,21,24)
InChIKeyZOPLUSSQRHVSIC-UHFFFAOYSA-N
XLogP1.72
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide (CID 56778190) is N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide is O=C(CNCC1CCCN1c1cccnn1)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide?
The InChIKey is ZOPLUSSQRHVSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN6O/c17-12-5-6-14(19-9-12)21-16(24)11-18-10-13-3-2-8-23(13)15-4-1-7-20-22-15/h1,4-7,9,13,18H,2-3,8,10-11H2,(H,19,21,24).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide?
N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide has a molecular weight of 346.82 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[(1-pyridazin-3-ylpyrrolidin-2-yl)methylamino]acetamide is sourced from PubChem (CID 56778190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).