N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide

C23H32N4O — CID 109240661

IUPACN-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCCC1CCCCN1c1cncc(C(=O)Nc2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C23H32N4O/c1-4-20-9-7-8-14-27(20)22-15-18(16-24-17-22)23(28)25-19-10-12-21(13-11-19)26(5-2)6-3/h10-13,15-17,20H,4-9,14H2,1-3H3,(H,25,28)
InChIKeyGIFSEEWVCIOVDG-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.95
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide

N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide (PubChem CID 109240661) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
PubChem CID109240661
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC NameN-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
SMILESCCC1CCCCN1c1cncc(C(=O)Nc2ccc(N(CC)CC)cc2)c1
InChIInChI=1S/C23H32N4O/c1-4-20-9-7-8-14-27(20)22-15-18(16-24-17-22)23(28)25-19-10-12-21(13-11-19)26(5-2)6-3/h10-13,15-17,20H,4-9,14H2,1-3H3,(H,25,28)
InChIKeyGIFSEEWVCIOVDG-UHFFFAOYSA-N
XLogP4.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.95
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

5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109240663
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240615
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109225954
N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240680
N-[4-(diethylamino)phenyl]-6-(2-ethylpiperidin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 112847196
methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109240657
5-(azepane-1-carbonyl)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109107727
N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109231683
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109239784
N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175704
N-(1,3-benzodioxol-5-ylmethyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109234587
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-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide (CID 109240661) is N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide is CCC1CCCCN1c1cncc(C(=O)Nc2ccc(N(CC)CC)cc2)c1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
The InChIKey is GIFSEEWVCIOVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c1-4-20-9-7-8-14-27(20)22-15-18(16-24-17-22)23(28)25-19-10-12-21(13-11-19)26(5-2)6-3/h10-13,15-17,20H,4-9,14H2,1-3H3,(H,25,28).
What are the key properties of N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide?
N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide has a molecular weight of 380.54 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109240661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).