1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide

C21H26N4O2 — CID 110122030

IUPAC1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide
SMILESCN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-24(2)14-15-5-3-6-17(13-15)18-7-4-10-23-19(18)21(27)25-11-8-16(9-12-25)20(22)26/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H2,22,26)
InChIKeyWHZCFDXGWMLDPX-UHFFFAOYSA-N
MW366.47 g/mol
LogP2.15
Rot. Bonds5

About 1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide

1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide (PubChem CID 110122030) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide
PubChem CID110122030
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide
SMILESCN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC(C(N)=O)CC2)c1
InChIInChI=1S/C21H26N4O2/c1-24(2)14-15-5-3-6-17(13-15)18-7-4-10-23-19(18)21(27)25-11-8-16(9-12-25)20(22)26/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H2,22,26)
InChIKeyWHZCFDXGWMLDPX-UHFFFAOYSA-N
XLogP2.15
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide (CID 110122030) is 1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide is CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCC(C(N)=O)CC2)c1.
What is the InChIKey of 1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide?
The InChIKey is WHZCFDXGWMLDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24(2)14-15-5-3-6-17(13-15)18-7-4-10-23-19(18)21(27)25-11-8-16(9-12-25)20(22)26/h3-7,10,13,16H,8-9,11-12,14H2,1-2H3,(H2,22,26).
What are the key properties of 1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide?
1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-[(dimethylamino)methyl]phenyl]pyridine-2-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 110122030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).