3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide

C21H28N4O — CID 110122105

IUPAC3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCN(C)Cc1cccc(-c2cccnc2C(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C21H28N4O/c1-24(2)15-16-6-4-7-17(14-16)19-8-5-11-22-20(19)21(26)23-18-9-12-25(3)13-10-18/h4-8,11,14,18H,9-10,12-13,15H2,1-3H3,(H,23,26)
InChIKeyFWVRJSFNOBJMEE-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.63
Rot. Bonds5

About 3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide

3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide (PubChem CID 110122105) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
PubChem CID110122105
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
SMILESCN(C)Cc1cccc(-c2cccnc2C(=O)NC2CCN(C)CC2)c1
InChIInChI=1S/C21H28N4O/c1-24(2)15-16-6-4-7-17(14-16)19-8-5-11-22-20(19)21(26)23-18-9-12-25(3)13-10-18/h4-8,11,14,18H,9-10,12-13,15H2,1-3H3,(H,23,26)
InChIKeyFWVRJSFNOBJMEE-UHFFFAOYSA-N
XLogP2.63
TPSA48.47 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide
CID 110122030
3-[3-[(dimethylamino)methyl]phenyl]-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 110122025
3-[3-(aminomethyl)phenyl]-N-[2-[(2S)-1-methylpyrrolidin-2-yl]ethyl]pyridine-2-carboxamide
CID 125011392
3-[3-(acetamidomethyl)phenyl]-N-[(1-methylpiperidin-3-yl)methyl]pyridine-2-carboxamide
CID 110122116
3-amino-N-(1-methylpiperidin-4-yl)pyrazine-2-carboxamide
CID 47293314
3-hydroxy-N-(1-methylpyrrolidin-3-yl)pyridine-2-carboxamide
CID 61465245
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134800740
3-[3-(acetamidomethyl)phenyl]-N-propylpyridine-2-carboxamide
CID 110122033
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571
3-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)pyridine-2-carbonyl]amino]piperidine-1-carboxylic acid
CID 175044037
4-[3-[(dimethylamino)methyl]anilino]piperidine-1-carboxamide
CID 43782212
3-[3-(acetamidomethyl)phenyl]-N-[3-(2-methylimidazol-1-yl)propyl]pyridine-2-carboxamide
CID 110122093

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The IUPAC name of 3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide (CID 110122105) is 3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide is CN(C)Cc1cccc(-c2cccnc2C(=O)NC2CCN(C)CC2)c1.
What is the InChIKey of 3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
The InChIKey is FWVRJSFNOBJMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-24(2)15-16-6-4-7-17(14-16)19-8-5-11-22-20(19)21(26)23-18-9-12-25(3)13-10-18/h4-8,11,14,18H,9-10,12-13,15H2,1-3H3,(H,23,26).
What are the key properties of 3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide?
3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(dimethylamino)methyl]phenyl]-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 110122105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).