N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide

C22H28N4O2 — CID 109090190

IUPACN-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCCC1CCCCN1C(=O)c1ccnc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C22H28N4O2/c1-4-18-7-5-6-14-26(18)22(28)16-12-13-23-20(15-16)21(27)24-17-8-10-19(11-9-17)25(2)3/h8-13,15,18H,4-7,14H2,1-3H3,(H,24,27)
InChIKeyTVAKVVAWEMCZDY-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.80
Rot. Bonds5

About N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide

N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109090190) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109090190
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC NameN-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCCC1CCCCN1C(=O)c1ccnc(C(=O)Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C22H28N4O2/c1-4-18-7-5-6-14-26(18)22(28)16-12-13-23-20(15-16)21(27)24-17-8-10-19(11-9-17)25(2)3/h8-13,15,18H,4-7,14H2,1-3H3,(H,24,27)
InChIKeyTVAKVVAWEMCZDY-UHFFFAOYSA-N
XLogP3.80
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.80
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

4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109090699
N-(4-ethylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090223
N-[4-(dimethylamino)phenyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109175704
N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081771
N-(4-tert-butylphenyl)-2-(2-ethylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109090231
N-(2,3-dimethylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090150
N-(2,4-difluorophenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090195
[2-[4-(dimethylamino)anilino]pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312617
N-(2-tert-butylphenyl)-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090159
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084727
4-(2-ethylpiperidine-1-carbonyl)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109085186
4-(2-ethylpiperidine-1-carbonyl)-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 109086427

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide (CID 109090190) is N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide is CCC1CCCCN1C(=O)c1ccnc(C(=O)Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is TVAKVVAWEMCZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-4-18-7-5-6-14-26(18)22(28)16-12-13-23-20(15-16)21(27)24-17-8-10-19(11-9-17)25(2)3/h8-13,15,18H,4-7,14H2,1-3H3,(H,24,27).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 3.80, 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]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109090190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).