4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide

C23H26N4O2 — CID 109208035

IUPAC4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccnc(C(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C23H26N4O2/c1-27(2)16-8-14-24-18-13-15-25-21(17-18)23(28)26-20-11-6-7-12-22(20)29-19-9-4-3-5-10-19/h3-7,9-13,15,17H,8,14,16H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyWLMVZVNGSHHVCQ-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.49
Rot. Bonds9

About 4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide

4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide (PubChem CID 109208035) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
PubChem CID109208035
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
SMILESCN(C)CCCNc1ccnc(C(=O)Nc2ccccc2Oc2ccccc2)c1
InChIInChI=1S/C23H26N4O2/c1-27(2)16-8-14-24-18-13-15-25-21(17-18)23(28)26-20-11-6-7-12-22(20)29-19-9-4-3-5-10-19/h3-7,9-13,15,17H,8,14,16H2,1-2H3,(H,24,25)(H,26,28)
InChIKeyWLMVZVNGSHHVCQ-UHFFFAOYSA-N
XLogP4.49
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208033
4-[3-(dimethylamino)propylamino]pyridine-2-carboxylic acid
CID 43143056
methyl 2-[[4-[2-(dimethylamino)ethylamino]pyridine-2-carbonyl]amino]benzoate
CID 109207394
N-[3-(dimethylamino)propyl]-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109207769
4-[3-(dimethylamino)propylamino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109207906
N-(2-ethoxyphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201237
N-[4-(dimethylamino)phenyl]-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208013
N-(3-acetylphenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208005
methyl 4-[3-(dimethylamino)propylamino]pyridine-2-carboxylate
CID 66284614
4-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109207266
6-[2-(dimethylamino)ethylamino]-2-methyl-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109366141
2-(butylamino)-N-(2-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109296477

Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide (CID 109208035) is 4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide is CN(C)CCCNc1ccnc(C(=O)Nc2ccccc2Oc2ccccc2)c1.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide?
The InChIKey is WLMVZVNGSHHVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-27(2)16-8-14-24-18-13-15-25-21(17-18)23(28)26-20-11-6-7-12-22(20)29-19-9-4-3-5-10-19/h3-7,9-13,15,17H,8,14,16H2,1-2H3,(H,24,25)(H,26,28).
What are the key properties of 4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide?
4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109208035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).