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

C21H26N4O2 — CID 109081771

IUPACN-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC1CCN(C(=O)c2ccnc(C(=O)Nc3ccc(N(C)C)cc3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-15-9-12-25(13-10-15)21(27)16-8-11-22-19(14-16)20(26)23-17-4-6-18(7-5-17)24(2)3/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,23,26)
InChIKeyYUIUXKGFLJQAPM-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.27
Rot. Bonds4

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

N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109081771) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109081771
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC NameN-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC1CCN(C(=O)c2ccnc(C(=O)Nc3ccc(N(C)C)cc3)c2)CC1
InChIInChI=1S/C21H26N4O2/c1-15-9-12-25(13-10-15)21(27)16-8-11-22-19(14-16)20(26)23-17-4-6-18(7-5-17)24(2)3/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,23,26)
InChIKeyYUIUXKGFLJQAPM-UHFFFAOYSA-N
XLogP3.27
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.27
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-fluorophenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081738
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084727
N-[4-(dimethylamino)phenyl]-4-(2-ethylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109090190
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084386
N-(3-methoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081751
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
4-(4-methylpiperidine-1-carbonyl)-N-propan-2-ylpyridine-2-carboxamide
CID 109078214
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109091571
N-(2,4-dimethoxyphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081759
N-(2-methoxy-5-methylphenyl)-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081755

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (CID 109081771) is N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is CC1CCN(C(=O)c2ccnc(C(=O)Nc3ccc(N(C)C)cc3)c2)CC1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is YUIUXKGFLJQAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-15-9-12-25(13-10-15)21(27)16-8-11-22-19(14-16)20(26)23-17-4-6-18(7-5-17)24(2)3/h4-8,11,14-15H,9-10,12-13H2,1-3H3,(H,23,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.27, 4 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-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109081771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).