N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide

C18H22N4O — CID 7422380

IUPACN-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C18H22N4O/c1-2-18(23)19-15-8-6-7-14(13-15)16-9-10-17(21-20-16)22-11-4-3-5-12-22/h6-10,13H,2-5,11-12H2,1H3,(H,19,23)
InChIKeyVFUGYWPDNSHFOM-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.48
Rot. Bonds4

About N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide

N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide (PubChem CID 7422380) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide.

Molecular Properties

Compound NameN-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
PubChem CID7422380
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC NameN-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide
SMILESCCC(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1
InChIInChI=1S/C18H22N4O/c1-2-18(23)19-15-8-6-7-14(13-15)16-9-10-17(21-20-16)22-11-4-3-5-12-22/h6-10,13H,2-5,11-12H2,1H3,(H,19,23)
InChIKeyVFUGYWPDNSHFOM-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The IUPAC name of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide (CID 7422380) is N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide.
What is the SMILES notation for N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The canonical SMILES for N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide is CCC(=O)Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1.
What is the InChIKey of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
The InChIKey is VFUGYWPDNSHFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-18(23)19-15-8-6-7-14(13-15)16-9-10-17(21-20-16)22-11-4-3-5-12-22/h6-10,13H,2-5,11-12H2,1H3,(H,19,23).
What are the key properties of N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide?
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide has a molecular weight of 310.40 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]propanamide is sourced from PubChem (CID 7422380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).