6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C27H33FN6O2 — CID 59738261

IUPAC6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)CCCCNc1ccc(C(=O)NCc2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C27H33FN6O2/c1-34(2)25(35)10-3-4-15-30-24-12-11-23(27(36)32-19-21-8-6-14-29-18-21)26(33-24)31-16-13-20-7-5-9-22(28)17-20/h5-9,11-12,14,17-18H,3-4,10,13,15-16,19H2,1-2H3,(H,32,36)(H2,30,31,33)
InChIKeyFKZMFDPBBZTSMK-UHFFFAOYSA-N
MW492.60 g/mol
LogP3.87
Rot. Bonds13

About 6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 59738261) has the molecular formula C27H33FN6O2 and a molecular weight of 492.60 g/mol. Its IUPAC name is 6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID59738261
Molecular FormulaC27H33FN6O2
Molecular Weight492.60 g/mol
Exact Mass492.26
IUPAC Name6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCN(C)C(=O)CCCCNc1ccc(C(=O)NCc2cccnc2)c(NCCc2cccc(F)c2)n1
InChIInChI=1S/C27H33FN6O2/c1-34(2)25(35)10-3-4-15-30-24-12-11-23(27(36)32-19-21-8-6-14-29-18-21)26(33-24)31-16-13-20-7-5-9-22(28)17-20/h5-9,11-12,14,17-18H,3-4,10,13,15-16,19H2,1-2H3,(H,32,36)(H2,30,31,33)
InChIKeyFKZMFDPBBZTSMK-UHFFFAOYSA-N
XLogP3.87
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.60
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59738225
2-[2-(3-fluorophenyl)ethylamino]-6-prop-1-enyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 67198593
6-[2-(3-fluorophenyl)ethylamino]-5-N-(pyridin-3-ylmethyl)pyridine-2,5-dicarboxamide
CID 59738255
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59740961
6-carbamimidoyl-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59738211
6-[(3R)-3-(dimethylcarbamoylamino)pyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59740877
6-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 59740865
tert-butyl 4-[6-[2-(3-fluorophenyl)ethylamino]-5-(pyridin-3-ylmethylcarbamoyl)-2-pyridinyl]-3-oxopiperazine-1-carboxylate
CID 59740881
[3-[[[6-chloro-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carbonyl]amino]methyl]-2-pyridinyl]-methylcarbamic acid
CID 87303277
6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]pyridine-3-carboxylic acid;6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;pyridin-3-ylmethanamine;hydroiodide
CID 158680747
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67199036
N-[(3-fluorophenyl)methyl]-2-(propylamino)pyridine-3-carboxamide
CID 62166991

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 59738261) is 6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is CN(C)C(=O)CCCCNc1ccc(C(=O)NCc2cccnc2)c(NCCc2cccc(F)c2)n1.
What is the InChIKey of 6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is FKZMFDPBBZTSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN6O2/c1-34(2)25(35)10-3-4-15-30-24-12-11-23(27(36)32-19-21-8-6-14-29-18-21)26(33-24)31-16-13-20-7-5-9-22(28)17-20/h5-9,11-12,14,17-18H,3-4,10,13,15-16,19H2,1-2H3,(H,32,36)(H2,30,31,33).
What are the key properties of 6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 492.60 g/mol, XLogP of 3.87, 13 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(dimethylamino)-5-oxopentyl]amino]-2-[2-(3-fluorophenyl)ethylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 59738261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).