1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide

C20H24N4O2 — CID 126793563

IUPAC1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide
SMILESCN(C)c1ccc(-c2cncc(C(=O)N3CCCCC3C(N)=O)c2)cc1
InChIInChI=1S/C20H24N4O2/c1-23(2)17-8-6-14(7-9-17)15-11-16(13-22-12-15)20(26)24-10-4-3-5-18(24)19(21)25/h6-9,11-13,18H,3-5,10H2,1-2H3,(H2,21,25)
InChIKeyWLLNAPGPWAFJTP-UHFFFAOYSA-N
MW352.44 g/mol
LogP2.29
Rot. Bonds4

About 1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide

1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide (PubChem CID 126793563) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide
PubChem CID126793563
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide
SMILESCN(C)c1ccc(-c2cncc(C(=O)N3CCCCC3C(N)=O)c2)cc1
InChIInChI=1S/C20H24N4O2/c1-23(2)17-8-6-14(7-9-17)15-11-16(13-22-12-15)20(26)24-10-4-3-5-18(24)19(21)25/h6-9,11-13,18H,3-5,10H2,1-2H3,(H2,21,25)
InChIKeyWLLNAPGPWAFJTP-UHFFFAOYSA-N
XLogP2.29
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(1-aminoethyl)piperidin-1-yl]-[5-[4-(dimethylamino)phenyl]-3-pyridinyl]methanone;dihydrochloride
CID 119437836
1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 126785640
[5-[4-(dimethylamino)phenyl]-3-pyridinyl]-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119652315
1-[5-(2,3-dihydro-1-benzofuran-5-yl)pyridine-3-carbonyl]piperidine-2-carboxylic acid
CID 120514994
N-methyl-N-(4-phenylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 167991863
[5-(4-methylphenyl)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methanone
CID 10446398
(3S)-4-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]-3-ethylpiperazin-2-one
CID 97026041
[2-(1-aminoethyl)piperidin-1-yl]-(5-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119436132
[5-[4-(dimethylamino)phenyl]-3-pyridinyl]-[4-(ethylaminomethyl)piperidin-1-yl]methanone;dihydrochloride
CID 119648513
N-methyl-N-(4-methylphenyl)-1-(pyridine-3-carbonyl)piperidine-2-carboxamide
CID 166214456
1-[4-(3,4-dichlorophenyl)benzoyl]pyrrolidine-2-carboxamide
CID 142087798
(2S)-1-[4-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 15320435

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide?
The IUPAC name of 1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide (CID 126793563) is 1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide is CN(C)c1ccc(-c2cncc(C(=O)N3CCCCC3C(N)=O)c2)cc1.
What is the InChIKey of 1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide?
The InChIKey is WLLNAPGPWAFJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23(2)17-8-6-14(7-9-17)15-11-16(13-22-12-15)20(26)24-10-4-3-5-18(24)19(21)25/h6-9,11-13,18H,3-5,10H2,1-2H3,(H2,21,25).
What are the key properties of 1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide?
1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(dimethylamino)phenyl]pyridine-3-carbonyl]piperidine-2-carboxamide is sourced from PubChem (CID 126793563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).