N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide

C19H23N3O2 — CID 71624814

IUPACN-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-17-8-5-15(6-9-17)13-21-19(23)16-7-10-18(20-14-16)22-11-3-2-4-12-22/h5-10,14H,2-4,11-13H2,1H3,(H,21,23)
InChIKeyAXULWXDALOWCCZ-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.01
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide

N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 71624814) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide
PubChem CID71624814
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccc(N3CCCCC3)nc2)cc1
InChIInChI=1S/C19H23N3O2/c1-24-17-8-5-15(6-9-17)13-21-19(23)16-7-10-18(20-14-16)22-11-3-2-4-12-22/h5-10,14H,2-4,11-13H2,1H3,(H,21,23)
InChIKeyAXULWXDALOWCCZ-UHFFFAOYSA-N
XLogP3.01
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide (CID 71624814) is N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide is COc1ccc(CNC(=O)c2ccc(N3CCCCC3)nc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is AXULWXDALOWCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-17-8-5-15(6-9-17)13-21-19(23)16-7-10-18(20-14-16)22-11-3-2-4-12-22/h5-10,14H,2-4,11-13H2,1H3,(H,21,23).
What are the key properties of N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-6-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 71624814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).