N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide

C20H25N3O2 — CID 95211495

IUPACN-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NC[C@H]2CCCN(Cc3cccc(O)c3)C2)c1
InChIInChI=1S/C20H25N3O2/c1-15-8-18(12-21-10-15)20(25)22-11-17-5-3-7-23(14-17)13-16-4-2-6-19(24)9-16/h2,4,6,8-10,12,17,24H,3,5,7,11,13-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyKZBRXWSPQBMIPJ-QGZVFWFLSA-N
MW339.44 g/mol
LogP2.74
Rot. Bonds5

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

N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide (PubChem CID 95211495) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
PubChem CID95211495
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NC[C@H]2CCCN(Cc3cccc(O)c3)C2)c1
InChIInChI=1S/C20H25N3O2/c1-15-8-18(12-21-10-15)20(25)22-11-17-5-3-7-23(14-17)13-16-4-2-6-19(24)9-16/h2,4,6,8-10,12,17,24H,3,5,7,11,13-14H2,1H3,(H,22,25)/t17-/m1/s1
InChIKeyKZBRXWSPQBMIPJ-QGZVFWFLSA-N
XLogP2.74
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3S)-1-[(1-ethenylpyrazol-4-yl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95216045
4-ethenyl-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]benzamide
CID 95226196
N-[[(3S)-1-benzylpiperidin-3-yl]methyl]pyridine-4-carboxamide
CID 94779099
2,6-dimethyl-N-[[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 97227448
2-ethyl-N-[[1-(pyridin-3-ylmethyl)piperidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 56714461
N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473
2-amino-N-[[(3S)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-6-methylpyrimidine-4-carboxamide
CID 95223504
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]-2-(methylamino)benzamide
CID 95193324
2-hydroxy-N-[[(3R)-1-[(3-hydroxyphenyl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 95208561
N-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97202083
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-3-pyridinyl)methanone
CID 166615057
3,5-dimethoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-3-yl]methyl]benzamide
CID 45226416

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide (CID 95211495) is N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NC[C@H]2CCCN(Cc3cccc(O)c3)C2)c1.
What is the InChIKey of N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide?
The InChIKey is KZBRXWSPQBMIPJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-8-18(12-21-10-15)20(25)22-11-17-5-3-7-23(14-17)13-16-4-2-6-19(24)9-16/h2,4,6,8-10,12,17,24H,3,5,7,11,13-14H2,1H3,(H,22,25)/t17-/m1/s1.
What are the key properties of N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide?
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 95211495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).