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

C20H25N5O2 — CID 109084386

IUPACN-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCN1CCN(C(=O)c2cc(C(=O)Nc3ccc(N(C)C)cc3)ccn2)CC1
InChIInChI=1S/C20H25N5O2/c1-23(2)17-6-4-16(5-7-17)22-19(26)15-8-9-21-18(14-15)20(27)25-12-10-24(3)11-13-25/h4-9,14H,10-13H2,1-3H3,(H,22,26)
InChIKeyAMIDLXJQSAZBNS-UHFFFAOYSA-N
MW367.45 g/mol
LogP1.79
Rot. Bonds4

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

N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109084386) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109084386
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC NameN-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCN1CCN(C(=O)c2cc(C(=O)Nc3ccc(N(C)C)cc3)ccn2)CC1
InChIInChI=1S/C20H25N5O2/c1-23(2)17-6-4-16(5-7-17)22-19(26)15-8-9-21-18(14-15)20(27)25-12-10-24(3)11-13-25/h4-9,14H,10-13H2,1-3H3,(H,22,26)
InChIKeyAMIDLXJQSAZBNS-UHFFFAOYSA-N
XLogP1.79
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084353
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084356
N-[4-(dimethylamino)phenyl]-3-(4-methylpiperazine-1-carbonyl)benzamide
CID 109053606
N-(3,4-dichlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084396
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109090699
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084727
N-(3-chloro-4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084361
N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081771
N-methyl-2-(4-methylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084332
2-N-(4-chlorophenyl)-4-N-[4-(dimethylamino)phenyl]pyridine-2,4-dicarboxamide
CID 109092885
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084410
2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109084325

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide (CID 109084386) is N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide is CN1CCN(C(=O)c2cc(C(=O)Nc3ccc(N(C)C)cc3)ccn2)CC1.
What is the InChIKey of N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is AMIDLXJQSAZBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-23(2)17-6-4-16(5-7-17)22-19(26)15-8-9-21-18(14-15)20(27)25-12-10-24(3)11-13-25/h4-9,14H,10-13H2,1-3H3,(H,22,26).
What are the key properties of N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109084386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).