N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide

C20H25N3O2 — CID 136579147

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-20-18(8-5-11-21-20)19(24)22-14-16-9-12-23(13-10-16)15-17-6-3-2-4-7-17/h2-8,11,16H,9-10,12-15H2,1H3,(H,22,24)
InChIKeyOFYZSMGPGXIGPQ-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.73
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide

N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide (PubChem CID 136579147) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
PubChem CID136579147
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-20-18(8-5-11-21-20)19(24)22-14-16-9-12-23(13-10-16)15-17-6-3-2-4-7-17/h2-8,11,16H,9-10,12-15H2,1H3,(H,22,24)
InChIKeyOFYZSMGPGXIGPQ-UHFFFAOYSA-N
XLogP2.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
2-chloro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895962
N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 114148107
2-(2-amino-2-oxoethoxy)-N-[(1-benzylpiperidin-4-yl)methyl]benzamide
CID 47920766
N-[(1-benzylpiperidin-4-yl)methyl]-2-(4-methoxyphenyl)acetamide
CID 16895674
N-[(1-benzylpiperidin-4-yl)methyl]-3-methoxybenzamide
CID 16895714
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113273848
N-[(3S)-1-benzylpyrrolidin-3-yl]-3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]propanamide
CID 26320267
5-amino-N-[(1-benzylpiperidin-4-yl)methyl]-2-methylbenzamide
CID 120645363
4-N-phenyl-1-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzene-1,4-dicarboxamide
CID 167930415
2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 55126271
3-methoxy-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzamide
CID 16895960

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide (CID 136579147) is N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is OFYZSMGPGXIGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-20-18(8-5-11-21-20)19(24)22-14-16-9-12-23(13-10-16)15-17-6-3-2-4-7-17/h2-8,11,16H,9-10,12-15H2,1H3,(H,22,24).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide?
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 136579147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).