4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

C22H30N4O3 — CID 109082783

IUPAC4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(C(=O)NCCCOC)c2)c(C)c1
InChIInChI=1S/C22H30N4O3/c1-5-26(6-2)18-8-9-19(16(3)14-18)25-21(27)17-10-12-23-20(15-17)22(28)24-11-7-13-29-4/h8-10,12,14-15H,5-7,11,13H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyLSZSYNFNHUJDEO-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.25
Rot. Bonds10

About 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide

4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (PubChem CID 109082783) has the molecular formula C22H30N4O3 and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
PubChem CID109082783
Molecular FormulaC22H30N4O3
Molecular Weight398.51 g/mol
Exact Mass398.23
IUPAC Name4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2ccnc(C(=O)NCCCOC)c2)c(C)c1
InChIInChI=1S/C22H30N4O3/c1-5-26(6-2)18-8-9-19(16(3)14-18)25-21(27)17-10-12-23-20(15-17)22(28)24-11-7-13-29-4/h8-10,12,14-15H,5-7,11,13H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyLSZSYNFNHUJDEO-UHFFFAOYSA-N
XLogP3.25
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079739
4-N-(5-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082732
2-N-butyl-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109079380
1-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)cyclopropane-1,2-dicarboxamide
CID 109133257
4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082390
4-N-[2-(dimethylamino)ethyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082641
4-N-(3,4-difluorophenyl)-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082791
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
2-N-[3-(dimethylamino)propyl]-4-N-(2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109084055
2-N-butyl-4-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109079379
2-N-(3-methoxypropyl)-4-N-[(2-methylphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082650
1-[4-(diethylamino)-2-methylphenyl]-3-[3-(4-methylphenoxy)propyl]urea chloride
CID 108881458

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide (CID 109082783) is 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is CCN(CC)c1ccc(NC(=O)c2ccnc(C(=O)NCCCOC)c2)c(C)c1.
What is the InChIKey of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
The InChIKey is LSZSYNFNHUJDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O3/c1-5-26(6-2)18-8-9-19(16(3)14-18)25-21(27)17-10-12-23-20(15-17)22(28)24-11-7-13-29-4/h8-10,12,14-15H,5-7,11,13H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide?
4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide has a molecular weight of 398.51 g/mol, XLogP of 3.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-(diethylamino)-2-methylphenyl]-2-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109082783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).