5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

C18H21N5O — CID 109186076

IUPAC5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C18H21N5O/c1-23(2)11-5-10-20-18(24)17-9-8-15(13-21-17)22-16-7-4-3-6-14(16)12-19/h3-4,6-9,13,22H,5,10-11H2,1-2H3,(H,20,24)
InChIKeyUJJOSOHNPIUZME-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.38
Rot. Bonds7

About 5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide

5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 109186076) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID109186076
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2ccccc2C#N)cn1
InChIInChI=1S/C18H21N5O/c1-23(2)11-5-10-20-18(24)17-9-8-15(13-21-17)22-16-7-4-3-6-14(16)12-19/h3-4,6-9,13,22H,5,10-11H2,1-2H3,(H,20,24)
InChIKeyUJJOSOHNPIUZME-UHFFFAOYSA-N
XLogP2.38
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.38
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

5-(2-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179228
5-(2-cyanoanilino)-N-(3-methylbutyl)pyridine-2-carboxamide
CID 109195596
5-(2-cyanoanilino)-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188237
N-tert-butyl-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109195159
5-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186081
5-(2-cyanoanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190445
5-(2-cyanoanilino)-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187642
N-(3-acetamidophenyl)-5-(2-cyanoanilino)pyridine-2-carboxamide
CID 109200420
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]benzoate
CID 109200785
5-(3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109186013
ethyl 4-[[5-(2-cyanoanilino)pyridine-2-carbonyl]amino]piperidine-1-carboxylate
CID 109194079
5-[3-(dimethylamino)propylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109186106

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (CID 109186076) is 5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is CN(C)CCCNC(=O)c1ccc(Nc2ccccc2C#N)cn1.
What is the InChIKey of 5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is UJJOSOHNPIUZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-23(2)11-5-10-20-18(24)17-9-8-15(13-21-17)22-16-7-4-3-6-14(16)12-19/h3-4,6-9,13,22H,5,10-11H2,1-2H3,(H,20,24).
What are the key properties of 5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 109186076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).