N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide

C21H21ClN4O — CID 109170914

IUPACN-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
SMILESCN(C)c1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)ccn2)cc1
InChIInChI=1S/C21H21ClN4O/c1-26(2)19-9-7-18(8-10-19)25-20-13-16(11-12-23-20)21(27)24-14-15-3-5-17(22)6-4-15/h3-13H,14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeySDFWXRREFNLUPL-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.47
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide

N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide (PubChem CID 109170914) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
PubChem CID109170914
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
SMILESCN(C)c1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)ccn2)cc1
InChIInChI=1S/C21H21ClN4O/c1-26(2)19-9-7-18(8-10-19)25-20-13-16(11-12-23-20)21(27)24-14-15-3-5-17(22)6-4-15/h3-13H,14H2,1-2H3,(H,23,25)(H,24,27)
InChIKeySDFWXRREFNLUPL-UHFFFAOYSA-N
XLogP4.47
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.47
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

2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169807
N-(1,3-benzodioxol-5-ylmethyl)-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109171410
2-(3-chloro-4-fluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169934
N-[(4-chlorophenyl)methyl]-2-(3-fluoroanilino)pyridine-4-carboxamide
CID 109170915
N-[(4-chlorophenyl)methyl]-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109170897
2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109175218
2-(3,4-difluoroanilino)-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169969
N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
2-(3-chloro-4-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172025
N-[(4-chlorophenyl)methyl]-2-(2-ethoxyanilino)pyridine-4-carboxamide
CID 109170899
N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
CID 109175537
2-(4-chloro-2-methylanilino)-N-(pyridin-4-ylmethyl)pyridine-4-carboxamide
CID 109172024

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide (CID 109170914) is N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide is CN(C)c1ccc(Nc2cc(C(=O)NCc3ccc(Cl)cc3)ccn2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide?
The InChIKey is SDFWXRREFNLUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c1-26(2)19-9-7-18(8-10-19)25-20-13-16(11-12-23-20)21(27)24-14-15-3-5-17(22)6-4-15/h3-13H,14H2,1-2H3,(H,23,25)(H,24,27).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide?
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide has a molecular weight of 380.88 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 109170914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).