4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C20H21N5O — CID 109212771

IUPAC4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(C)c1ccc(Nc2ccnc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H21N5O/c1-25(2)18-8-6-15(7-9-18)24-16-10-12-22-19(13-16)20(26)23-14-17-5-3-4-11-21-17/h3-13H,14H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyAMSJYEDFTMHTOQ-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.22
Rot. Bonds6

About 4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109212771) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109212771
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCN(C)c1ccc(Nc2ccnc(C(=O)NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H21N5O/c1-25(2)18-8-6-15(7-9-18)24-16-10-12-22-19(13-16)20(26)23-14-17-5-3-4-11-21-17/h3-13H,14H2,1-2H3,(H,22,24)(H,23,26)
InChIKeyAMSJYEDFTMHTOQ-UHFFFAOYSA-N
XLogP3.22
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212720
4-(3-chloro-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212742
4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213610
4-N-methyl-4-N-phenyl-2-N-(pyridin-2-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087239
4-(propan-2-ylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109201520
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906
4-(dipropylamino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212707
4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212781
5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190984
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362
4-[4-(dimethylamino)anilino]-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109220014
N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
CID 109212563

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109212771) is 4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is CN(C)c1ccc(Nc2ccnc(C(=O)NCc3ccccn3)c2)cc1.
What is the InChIKey of 4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is AMSJYEDFTMHTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-25(2)18-8-6-15(7-9-18)24-16-10-12-22-19(13-16)20(26)23-14-17-5-3-4-11-21-17/h3-13H,14H2,1-2H3,(H,22,24)(H,23,26).
What are the key properties of 4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109212771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).