6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide

C18H21N5O — CID 109154528

IUPAC6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)nc1
InChIInChI=1S/C18H21N5O/c1-23(2)11-3-10-20-18(24)15-6-9-17(21-13-15)22-16-7-4-14(12-19)5-8-16/h4-9,13H,3,10-11H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyNVXSHBXGASSWDB-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.38
Rot. Bonds7

About 6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide

6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (PubChem CID 109154528) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
PubChem CID109154528
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)nc1
InChIInChI=1S/C18H21N5O/c1-23(2)11-3-10-20-18(24)15-6-9-17(21-13-15)22-16-7-4-14(12-19)5-8-16/h4-9,13H,3,10-11H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyNVXSHBXGASSWDB-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

N-[3-(dimethylamino)propyl]-6-(4-methylanilino)pyridine-3-carboxamide
CID 109154437
6-(4-acetylanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154486
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154509
6-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109153720
N-(4-cyanophenyl)-6-[4-(dimethylamino)anilino]pyridine-3-carboxamide
CID 109164675
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
N-[3-(dimethylamino)propyl]-6-(2-ethylanilino)pyridine-3-carboxamide
CID 109154445
6-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-4-carboxamide
CID 109344404
N-[2-(3-chlorophenyl)ethyl]-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109161981
6-(3-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153921
methyl 4-[[5-[(4-cyanophenyl)carbamoyl]-2-pyridinyl]amino]benzoate
CID 109164642

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (CID 109154528) is 6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is CN(C)CCCNC(=O)c1ccc(Nc2ccc(C#N)cc2)nc1.
What is the InChIKey of 6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The InChIKey is NVXSHBXGASSWDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-23(2)11-3-10-20-18(24)15-6-9-17(21-13-15)22-16-7-4-14(12-19)5-8-16/h4-9,13H,3,10-11H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-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 6-(4-cyanoanilino)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 109154528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).