N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide

C19H23N3O — CID 109226461

IUPACN-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(N3CCCCC3)c2)c1
InChIInChI=1S/C19H23N3O/c1-15-6-5-7-16(10-15)12-21-19(23)17-11-18(14-20-13-17)22-8-3-2-4-9-22/h5-7,10-11,13-14H,2-4,8-9,12H2,1H3,(H,21,23)
InChIKeyHJKSKVQDEJKTHE-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.31
Rot. Bonds4

About N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide

N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 109226461) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
PubChem CID109226461
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC NameN-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide
SMILESCc1cccc(CNC(=O)c2cncc(N3CCCCC3)c2)c1
InChIInChI=1S/C19H23N3O/c1-15-6-5-7-16(10-15)12-21-19(23)17-11-18(14-20-13-17)22-8-3-2-4-9-22/h5-7,10-11,13-14H,2-4,8-9,12H2,1H3,(H,21,23)
InChIKeyHJKSKVQDEJKTHE-UHFFFAOYSA-N
XLogP3.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(azepan-1-yl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232264
5-piperidin-1-yl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109226474
N-[(3-methylphenyl)methyl]-4-pyrrolidin-1-ylbenzamide
CID 110295113
N-(3-methylphenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225773
N-[(3-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 110850770
5-(4-ethylpiperazine-1-carbonyl)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109104539
ethyl 4-[5-(benzylcarbamoyl)-3-pyridinyl]piperazine-1-carboxylate
CID 109231667
N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109238422
5-(benzylamino)-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109231789
5-[(2-chlorophenyl)methylamino]-N-[(3-methylphenyl)methyl]pyridine-3-carboxamide
CID 109232221
3-N-[(3-methylphenyl)methyl]-5-N-(oxolan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109103890
N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232216

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide (CID 109226461) is N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide is Cc1cccc(CNC(=O)c2cncc(N3CCCCC3)c2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is HJKSKVQDEJKTHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-15-6-5-7-16(10-15)12-21-19(23)17-11-18(14-20-13-17)22-8-3-2-4-9-22/h5-7,10-11,13-14H,2-4,8-9,12H2,1H3,(H,21,23).
What are the key properties of N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide?
N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-5-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 109226461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).