N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide

C23H26N4O — CID 109219474

IUPACN-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(N(C)c3ccccc3)ccn2)cc1
InChIInChI=1S/C23H26N4O/c1-4-27(5-2)20-13-11-18(12-14-20)25-23(28)22-17-21(15-16-24-22)26(3)19-9-7-6-8-10-19/h6-17H,4-5H2,1-3H3,(H,25,28)
InChIKeyBRPLZKSPWPYVOO-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.95
Rot. Bonds7

About N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide

N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide (PubChem CID 109219474) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
PubChem CID109219474
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(N(C)c3ccccc3)ccn2)cc1
InChIInChI=1S/C23H26N4O/c1-4-27(5-2)20-13-11-18(12-14-20)25-23(28)22-17-21(15-16-24-22)26(3)19-9-7-6-8-10-19/h6-17H,4-5H2,1-3H3,(H,25,28)
InChIKeyBRPLZKSPWPYVOO-UHFFFAOYSA-N
XLogP4.95
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.95
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-(N-methylanilino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109219436
N-(3-bromo-4-methylphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219450
N-(4-acetamidophenyl)-4-(N-ethylanilino)pyridine-2-carboxamide
CID 109220336
N-[4-(diethylamino)phenyl]-5-(N-methylanilino)pyrazine-2-carboxamide
CID 109290357
4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109217021
4-(N-methylanilino)-N-prop-2-enylpyridine-2-carboxamide
CID 109202165
4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219248
N-(2-methoxyphenyl)-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219451
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090511
N-[3-(dimethylamino)propyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109207788
methyl 2-[[4-(diethylamino)pyridine-2-carbonyl]amino]benzoate
CID 109216568

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide (CID 109219474) is N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(N(C)c3ccccc3)ccn2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide?
The InChIKey is BRPLZKSPWPYVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-4-27(5-2)20-13-11-18(12-14-20)25-23(28)22-17-21(15-16-24-22)26(3)19-9-7-6-8-10-19/h6-17H,4-5H2,1-3H3,(H,25,28).
What are the key properties of N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide?
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109219474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).