N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide

C20H25N3O3 — CID 146042653

IUPACN-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide
SMILESCOc1cnc(C)cc1C(=O)NC1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C20H25N3O3/c1-14-9-18(19(26-2)11-21-14)20(25)22-16-6-4-8-23(13-16)12-15-5-3-7-17(24)10-15/h3,5,7,9-11,16,24H,4,6,8,12-13H2,1-2H3,(H,22,25)
InChIKeyCEQZALGIAGNOPJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.50
Rot. Bonds5

About N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide

N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide (PubChem CID 146042653) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide
PubChem CID146042653
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide
SMILESCOc1cnc(C)cc1C(=O)NC1CCCN(Cc2cccc(O)c2)C1
InChIInChI=1S/C20H25N3O3/c1-14-9-18(19(26-2)11-21-14)20(25)22-16-6-4-8-23(13-16)12-15-5-3-7-17(24)10-15/h3,5,7,9-11,16,24H,4,6,8,12-13H2,1-2H3,(H,22,25)
InChIKeyCEQZALGIAGNOPJ-UHFFFAOYSA-N
XLogP2.50
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125176454
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-5-methyl-1-propylpyrazole-4-carboxamide
CID 45187769
2-(4-ethoxyphenyl)-N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
CID 125168981
3-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamoylamino]propanoic acid
CID 131934062
N-(1-ethylpiperidin-3-yl)-2-hydroxy-3-methoxybenzamide
CID 61151099
N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
CID 131901421
N-(1-benzylpiperidin-3-yl)-2-hydroxy-5-methylbenzamide
CID 75874280
N-(1-benzylpiperidin-3-yl)-2-methylbenzamide
CID 42958722
N-(1-benzylpyrrolidin-3-yl)-2,5-dimethoxybenzamide
CID 18156341
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide (CID 146042653) is N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide is COc1cnc(C)cc1C(=O)NC1CCCN(Cc2cccc(O)c2)C1.
What is the InChIKey of N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide?
The InChIKey is CEQZALGIAGNOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-14-9-18(19(26-2)11-21-14)20(25)22-16-6-4-8-23(13-16)12-15-5-3-7-17(24)10-15/h3,5,7,9-11,16,24H,4,6,8,12-13H2,1-2H3,(H,22,25).
What are the key properties of N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide?
N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-5-methoxy-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 146042653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).