N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide

C16H20N4OS — CID 71875354

IUPACN-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCC1CCCN1c1cccnn1
InChIInChI=1S/C16H20N4OS/c21-16(8-7-14-5-3-11-22-14)17-12-13-4-2-10-20(13)15-6-1-9-18-19-15/h1,3,5-6,9,11,13H,2,4,7-8,10,12H2,(H,17,21)
InChIKeyNNTXRDNKEVCKKK-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.26
Rot. Bonds6

About N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide

N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide (PubChem CID 71875354) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound NameN-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide
PubChem CID71875354
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide
SMILESO=C(CCc1cccs1)NCC1CCCN1c1cccnn1
InChIInChI=1S/C16H20N4OS/c21-16(8-7-14-5-3-11-22-14)17-12-13-4-2-10-20(13)15-6-1-9-18-19-15/h1,3,5-6,9,11,13H,2,4,7-8,10,12H2,(H,17,21)
InChIKeyNNTXRDNKEVCKKK-UHFFFAOYSA-N
XLogP2.26
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The IUPAC name of N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide (CID 71875354) is N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide is O=C(CCc1cccs1)NCC1CCCN1c1cccnn1.
What is the InChIKey of N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide?
The InChIKey is NNTXRDNKEVCKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c21-16(8-7-14-5-3-11-22-14)17-12-13-4-2-10-20(13)15-6-1-9-18-19-15/h1,3,5-6,9,11,13H,2,4,7-8,10,12H2,(H,17,21).
What are the key properties of N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide?
N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide has a molecular weight of 316.43 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 71875354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).