N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide

C22H29N3O — CID 109227244

IUPACN-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC1CCN(c2cncc(C(=O)N(Cc3ccccc3)C(C)C)c2)CC1
InChIInChI=1S/C22H29N3O/c1-17(2)25(16-19-7-5-4-6-8-19)22(26)20-13-21(15-23-14-20)24-11-9-18(3)10-12-24/h4-8,13-15,17-18H,9-12,16H2,1-3H3
InChIKeyKQWSAQOPBRZNPX-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.37
Rot. Bonds5

About N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide

N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 109227244) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
PubChem CID109227244
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide
SMILESCC1CCN(c2cncc(C(=O)N(Cc3ccccc3)C(C)C)c2)CC1
InChIInChI=1S/C22H29N3O/c1-17(2)25(16-19-7-5-4-6-8-19)22(26)20-13-21(15-23-14-20)24-11-9-18(3)10-12-24/h4-8,13-15,17-18H,9-12,16H2,1-3H3
InChIKeyKQWSAQOPBRZNPX-UHFFFAOYSA-N
XLogP4.37
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-5-(N-ethylanilino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239700
5-(4-benzylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 82535114
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-ethylpyridine-3-carboxamide
CID 109231167
N-benzyl-N-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249433
N-benzyl-5-(3-methylbutylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 109239678
N-[2-(3-methoxyphenyl)ethyl]-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227214
5-N-benzyl-5-N-propan-2-yl-3-N-(pyridin-4-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106106
5-(4-benzylpiperidin-1-yl)-N-butyl-N-methylpyridine-3-carboxamide
CID 109240243
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 109254780
5-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 109223634
[5-(4-methylpiperidin-1-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 109226257
N-benzyl-5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-propan-2-ylpyridine-3-carboxamide
CID 109239728

Frequently Asked Questions

What is the IUPAC name of N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide (CID 109227244) is N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide is CC1CCN(c2cncc(C(=O)N(Cc3ccccc3)C(C)C)c2)CC1.
What is the InChIKey of N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is KQWSAQOPBRZNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-17(2)25(16-19-7-5-4-6-8-19)22(26)20-13-21(15-23-14-20)24-11-9-18(3)10-12-24/h4-8,13-15,17-18H,9-12,16H2,1-3H3.
What are the key properties of N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide?
N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-5-(4-methylpiperidin-1-yl)-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 109227244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).