2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

C22H30N4O2 — CID 109079739

IUPAC2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C(=O)NCC(C)C)ccn2)c(C)c1
InChIInChI=1S/C22H30N4O2/c1-6-26(7-2)18-8-9-19(16(5)12-18)25-22(28)20-13-17(10-11-23-20)21(27)24-14-15(3)4/h8-13,15H,6-7,14H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyGNFVGYUMXVDTIX-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.87
Rot. Bonds8

About 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide

2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (PubChem CID 109079739) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
PubChem CID109079739
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C(=O)NCC(C)C)ccn2)c(C)c1
InChIInChI=1S/C22H30N4O2/c1-6-26(7-2)18-8-9-19(16(5)12-18)25-22(28)20-13-17(10-11-23-20)21(27)24-14-15(3)4/h8-13,15H,6-7,14H2,1-5H3,(H,24,27)(H,25,28)
InChIKeyGNFVGYUMXVDTIX-UHFFFAOYSA-N
XLogP3.87
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.87
H-Bond Donors ≤ 52
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-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203222
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082783
4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109203604
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
N-[4-(diethylamino)-2-methylphenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311841
4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109205057
2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165702
4-N-(2-methylpropyl)-2-N-propylpyridine-2,4-dicarboxamide
CID 109077815
N-[4-(diethylamino)-2-methylphenyl]-4-propan-2-ylbenzamide
CID 959434
4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080050
2-N-(2,4-dimethylphenyl)-4-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109078105
N-[4-(diethylamino)-2-methylphenyl]-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213230

Frequently Asked Questions

What is the IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide (CID 109079739) is 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is CCN(CC)c1ccc(NC(=O)c2cc(C(=O)NCC(C)C)ccn2)c(C)c1.
What is the InChIKey of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
The InChIKey is GNFVGYUMXVDTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-6-26(7-2)18-8-9-19(16(5)12-18)25-22(28)20-13-17(10-11-23-20)21(27)24-14-15(3)4/h8-13,15H,6-7,14H2,1-5H3,(H,24,27)(H,25,28).
What are the key properties of 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide?
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109079739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).