N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide

C21H28N4O — CID 109175704

IUPACN-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)Nc2ccc(N(C)C)cc2)ccn1
InChIInChI=1S/C21H28N4O/c1-4-18-7-5-6-14-25(18)20-15-16(12-13-22-20)21(26)23-17-8-10-19(11-9-17)24(2)3/h8-13,15,18H,4-7,14H2,1-3H3,(H,23,26)
InChIKeyXPEABDSSWRBNHO-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.17
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide

N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide (PubChem CID 109175704) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
PubChem CID109175704
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
SMILESCCC1CCCCN1c1cc(C(=O)Nc2ccc(N(C)C)cc2)ccn1
InChIInChI=1S/C21H28N4O/c1-4-18-7-5-6-14-25(18)20-15-16(12-13-22-20)21(26)23-17-8-10-19(11-9-17)24(2)3/h8-13,15,18H,4-7,14H2,1-3H3,(H,23,26)
InChIKeyXPEABDSSWRBNHO-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090190
2-[(2R)-2-ethylpyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 93394486
N-(2,5-dimethoxyphenyl)-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175691
2-(2-ethylpiperidin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109175707
N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240661
2-(2-ethylpiperidin-1-yl)-N-[2-(4-methoxyphenoxy)ethyl]pyridine-4-carboxamide
CID 109174906
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109173883
N-(4-ethylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090223
N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847196
N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090231
N-(4-ethylphenyl)-2-(2-ethylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264239
N-[4-(2-ethylpiperidin-1-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 112985450

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide (CID 109175704) is N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide is CCC1CCCCN1c1cc(C(=O)Nc2ccc(N(C)C)cc2)ccn1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide?
The InChIKey is XPEABDSSWRBNHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-4-18-7-5-6-14-25(18)20-15-16(12-13-22-20)21(26)23-17-8-10-19(11-9-17)24(2)3/h8-13,15,18H,4-7,14H2,1-3H3,(H,23,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109175704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).