N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

C19H20N4O — CID 109218300

IUPACN-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)Nc3cccc(C#N)c3)c2)C1
InChIInChI=1S/C19H20N4O/c1-14-4-3-9-23(13-14)17-7-8-21-18(11-17)19(24)22-16-6-2-5-15(10-16)12-20/h2,5-8,10-11,14H,3-4,9,13H2,1H3,(H,22,24)
InChIKeyCZHVHAJJTRLMOJ-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.44
Rot. Bonds3

About N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 109218300) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID109218300
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC NameN-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)Nc3cccc(C#N)c3)c2)C1
InChIInChI=1S/C19H20N4O/c1-14-4-3-9-23(13-14)17-7-8-21-18(11-17)19(24)22-16-6-2-5-15(10-16)12-20/h2,5-8,10-11,14H,3-4,9,13H2,1H3,(H,22,24)
InChIKeyCZHVHAJJTRLMOJ-UHFFFAOYSA-N
XLogP3.44
TPSA69.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218235
N-(3-cyanophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208697
N-(4-bromo-3-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218278
4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109218222
N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218225
N-(3-cyanophenyl)-3-(3-methylpiperidin-1-yl)-3-oxopropanamide
CID 108952404
N-(3-cyanophenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081935
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210674
N-(4-bromo-2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218277
N-(3-cyanophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321717

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (CID 109218300) is N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is CC1CCCN(c2ccnc(C(=O)Nc3cccc(C#N)c3)c2)C1.
What is the InChIKey of N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is CZHVHAJJTRLMOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-14-4-3-9-23(13-14)17-7-8-21-18(11-17)19(24)22-16-6-2-5-15(10-16)12-20/h2,5-8,10-11,14H,3-4,9,13H2,1H3,(H,22,24).
What are the key properties of N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109218300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).