N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide

C21H30N4O — CID 109203222

IUPACN-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NCC(C)C)ccn2)c(C)c1
InChIInChI=1S/C21H30N4O/c1-6-25(7-2)18-8-9-19(16(5)12-18)24-21(26)20-13-17(10-11-22-20)23-14-15(3)4/h8-13,15H,6-7,14H2,1-5H3,(H,22,23)(H,24,26)
InChIKeyBJBNBVHGVLWXOJ-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.56
Rot. Bonds8

About N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide (PubChem CID 109203222) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
PubChem CID109203222
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NCC(C)C)ccn2)c(C)c1
InChIInChI=1S/C21H30N4O/c1-6-25(7-2)18-8-9-19(16(5)12-18)24-21(26)20-13-17(10-11-22-20)23-14-15(3)4/h8-13,15H,6-7,14H2,1-5H3,(H,22,23)(H,24,26)
InChIKeyBJBNBVHGVLWXOJ-UHFFFAOYSA-N
XLogP4.56
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.56
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

4-(butan-2-ylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109203604
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079739
N-[4-(diethylamino)-2-methylphenyl]-4-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109213230
4-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-2-carboxamide
CID 109205057
4-(diethylamino)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109216518
N-[4-(diethylamino)-2-methylphenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311841
N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203188
N-(2-ethylphenyl)-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203139
N-cyclopropyl-4-[4-(diethylamino)-2-methylanilino]pyridine-2-carboxamide
CID 109201867
N-(4-bromo-2-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62186935
N-[4-(diethylamino)-2-methylphenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 109338428
2-anilino-N-[4-(diethylamino)-2-methylphenyl]pyrimidine-4-carboxamide
CID 109313491

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide (CID 109203222) is N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(NCC(C)C)ccn2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
The InChIKey is BJBNBVHGVLWXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-6-25(7-2)18-8-9-19(16(5)12-18)24-21(26)20-13-17(10-11-22-20)23-14-15(3)4/h8-13,15H,6-7,14H2,1-5H3,(H,22,23)(H,24,26).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109203222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).