5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide

C21H28N4O — CID 146287978

IUPAC5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)c1
InChIInChI=1S/C21H28N4O/c1-15-7-18(8-16(2)24-15)9-17-5-4-6-25(13-17)14-19-10-20(12-23-11-19)21(26)22-3/h7-8,10-12,17H,4-6,9,13-14H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyVNAXGQUHWCDZFZ-QGZVFWFLSA-N
MW352.48 g/mol
LogP2.91
Rot. Bonds5

About 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide

5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 146287978) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide
PubChem CID146287978
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cncc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)c1
InChIInChI=1S/C21H28N4O/c1-15-7-18(8-16(2)24-15)9-17-5-4-6-25(13-17)14-19-10-20(12-23-11-19)21(26)22-3/h7-8,10-12,17H,4-6,9,13-14H2,1-3H3,(H,22,26)/t17-/m1/s1
InChIKeyVNAXGQUHWCDZFZ-QGZVFWFLSA-N
XLogP2.91
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 146287833
N-[5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1H-imidazol-2-yl]acetamide
CID 135135294
N-[4-bromo-5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146284871
4-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-3-yl]methyl]-2,6-dimethylpyridine
CID 135135268
5-[[3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-2-methyl-1,3-benzothiazole
CID 135135234
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1-methylpyrazol-3-amine
CID 146287766
3-[[3-(chloromethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878825
5-[(1-methylpiperidin-3-yl)methyl]-N-prop-2-enylpyridine-3-carboxamide
CID 175653288
N,2-dimethyl-6-[[1-(1,3-thiazol-5-ylmethyl)piperidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 110100807
3-[[3-(2-chloroethyl)piperidin-1-yl]methyl]-5-methylpyridine
CID 102878847
tert-butyl (3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidine-1-carboxylate
CID 146286115
N-[[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]methyl]-5-methylpyridine-3-carboxamide
CID 95211495

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide (CID 146287978) is 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cncc(CN2CCC[C@H](Cc3cc(C)nc(C)c3)C2)c1.
What is the InChIKey of 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is VNAXGQUHWCDZFZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-7-18(8-16(2)24-15)9-17-5-4-6-25(13-17)14-19-10-20(12-23-11-19)21(26)22-3/h7-8,10-12,17H,4-6,9,13-14H2,1-3H3,(H,22,26)/t17-/m1/s1.
What are the key properties of 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide?
5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 146287978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).