4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide

C26H19ClFN5O2 — CID 176599401

IUPAC4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(C#Cc2ccc(N)nc2)cc(C(=O)NC(c2ccc(Cl)cn2)c2cc(F)ccc2O)n1
InChIInChI=1S/C26H19ClFN5O2/c1-15-10-17(3-2-16-4-9-24(29)31-13-16)11-22(32-15)26(35)33-25(21-7-5-18(27)14-30-21)20-12-19(28)6-8-23(20)34/h4-14,25,34H,1H3,(H2,29,31)(H,33,35)
InChIKeyOJDFKDSVWZLBQV-UHFFFAOYSA-N
MW487.92 g/mol
LogP4.18
Rot. Bonds4

About 4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide

4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide (PubChem CID 176599401) has the molecular formula C26H19ClFN5O2 and a molecular weight of 487.92 g/mol. Its IUPAC name is 4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide
PubChem CID176599401
Molecular FormulaC26H19ClFN5O2
Molecular Weight487.92 g/mol
Exact Mass487.12
IUPAC Name4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(C#Cc2ccc(N)nc2)cc(C(=O)NC(c2ccc(Cl)cn2)c2cc(F)ccc2O)n1
InChIInChI=1S/C26H19ClFN5O2/c1-15-10-17(3-2-16-4-9-24(29)31-13-16)11-22(32-15)26(35)33-25(21-7-5-18(27)14-30-21)20-12-19(28)6-8-23(20)34/h4-14,25,34H,1H3,(H2,29,31)(H,33,35)
InChIKeyOJDFKDSVWZLBQV-UHFFFAOYSA-N
XLogP4.18
TPSA114.02 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.92
LogP ≤ 54.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(R)-(5-fluoro-2-hydroxyphenyl)-(1H-indol-2-yl)methyl]-6-methyl-4-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide
CID 176599378
N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methyl-4-[2-(2-methyl-2-azaspiro[3.3]heptan-6-yl)ethynyl]pyridine-2-carboxamide
CID 176598954
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methyl-4-[2-[(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexan-6-yl]ethynyl]pyridine-2-carboxamide
CID 176599521
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-4-[2-[1-(hydroxymethyl)cyclopropyl]ethynyl]-6-methylpyridine-2-carboxamide
CID 176599474
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methyl-4-[2-(oxan-4-yl)ethynyl]pyridine-2-carboxamide
CID 176598930
N-[(5-fluoro-2-hydroxyphenyl)-(1H-indol-2-yl)methyl]-6-methyl-4-[2-(1-methylpyrazol-4-yl)ethynyl]pyridine-2-carboxamide
CID 176599276
5-[2-(6-amino-3-pyridinyl)ethynyl]-N-[1H-benzimidazol-2-yl-(5-fluoro-2-hydroxyphenyl)methyl]-1,3-thiazole-2-carboxamide
CID 176598950
N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methyl-4-[4-[methyl-(1-methylazetidin-3-yl)amino]but-1-ynyl]pyridine-2-carboxamide
CID 176599042
4-[2-(1,4-dimethylpiperidin-4-yl)ethynyl]-N-[(5-fluoro-2-hydroxyphenyl)-(4-fluorophenyl)methyl]-6-methylpyridine-2-carboxamide
CID 176599728
N-[(5-fluoro-2-hydroxyphenyl)-(1H-indol-2-yl)methyl]-4-(3-fluoro-3-methylbut-1-ynyl)-6-methylpyridine-2-carboxamide
CID 176599343
N-[(4-chlorophenyl)-(5-fluoro-2-hydroxyphenyl)methyl]-5-fluoro-6-methylpyridine-2-carboxamide
CID 176599294
N-[(5-fluoro-2-hydroxyphenyl)-(4-methylphenyl)methyl]-6-methyl-4-[2-[(3S)-oxolan-3-yl]ethynyl]pyridine-2-carboxamide
CID 176599410

Frequently Asked Questions

What is the IUPAC name of 4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide (CID 176599401) is 4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide is Cc1cc(C#Cc2ccc(N)nc2)cc(C(=O)NC(c2ccc(Cl)cn2)c2cc(F)ccc2O)n1.
What is the InChIKey of 4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is OJDFKDSVWZLBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClFN5O2/c1-15-10-17(3-2-16-4-9-24(29)31-13-16)11-22(32-15)26(35)33-25(21-7-5-18(27)14-30-21)20-12-19(28)6-8-23(20)34/h4-14,25,34H,1H3,(H2,29,31)(H,33,35).
What are the key properties of 4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide?
4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 487.92 g/mol, XLogP of 4.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(6-amino-3-pyridinyl)ethynyl]-N-[(5-chloro-2-pyridinyl)-(5-fluoro-2-hydroxyphenyl)methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 176599401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).