N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide

C23H25N5O2 — CID 30867007

IUPACN-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)c1
InChIInChI=1S/C23H25N5O2/c1-30-20-6-2-4-17(14-20)15-25-23(29)18-9-12-28(13-10-18)22-8-7-21(26-27-22)19-5-3-11-24-16-19/h2-8,11,14,16,18H,9-10,12-13,15H2,1H3,(H,25,29)
InChIKeyYMQPMPQWYAMTJB-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.08
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide

N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide (PubChem CID 30867007) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
PubChem CID30867007
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide
SMILESCOc1cccc(CNC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)c1
InChIInChI=1S/C23H25N5O2/c1-30-20-6-2-4-17(14-20)15-25-23(29)18-9-12-28(13-10-18)22-8-7-21(26-27-22)19-5-3-11-24-16-19/h2-8,11,14,16,18H,9-10,12-13,15H2,1H3,(H,25,29)
InChIKeyYMQPMPQWYAMTJB-UHFFFAOYSA-N
XLogP3.08
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide (CID 30867007) is N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide is COc1cccc(CNC(=O)C2CCN(c3ccc(-c4cccnc4)nn3)CC2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
The InChIKey is YMQPMPQWYAMTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-30-20-6-2-4-17(14-20)15-25-23(29)18-9-12-28(13-10-18)22-8-7-21(26-27-22)19-5-3-11-24-16-19/h2-8,11,14,16,18H,9-10,12-13,15H2,1H3,(H,25,29).
What are the key properties of N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide?
N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-1-(6-pyridin-3-ylpyridazin-3-yl)piperidine-4-carboxamide is sourced from PubChem (CID 30867007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).