5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide

C20H12Cl2F2N6O2 — CID 166463109

IUPAC5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide
SMILESN#CCNC(=O)c1ncc(NC(=O)c2cc(F)c(-c3ccc(F)nc3N)cc2Cl)cc1Cl
InChIInChI=1S/C20H12Cl2F2N6O2/c21-13-6-11(10-1-2-16(24)30-18(10)26)15(23)7-12(13)19(31)29-9-5-14(22)17(28-8-9)20(32)27-4-3-25/h1-2,5-8H,4H2,(H2,26,30)(H,27,32)(H,29,31)
InChIKeyRHQRYCOXFAEIQU-UHFFFAOYSA-N
MW477.26 g/mol
LogP3.82
Rot. Bonds5

About 5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide

5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide (PubChem CID 166463109) has the molecular formula C20H12Cl2F2N6O2 and a molecular weight of 477.26 g/mol. Its IUPAC name is 5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide
PubChem CID166463109
Molecular FormulaC20H12Cl2F2N6O2
Molecular Weight477.26 g/mol
Exact Mass476.04
IUPAC Name5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide
SMILESN#CCNC(=O)c1ncc(NC(=O)c2cc(F)c(-c3ccc(F)nc3N)cc2Cl)cc1Cl
InChIInChI=1S/C20H12Cl2F2N6O2/c21-13-6-11(10-1-2-16(24)30-18(10)26)15(23)7-12(13)19(31)29-9-5-14(22)17(28-8-9)20(32)27-4-3-25/h1-2,5-8H,4H2,(H2,26,30)(H,27,32)(H,29,31)
InChIKeyRHQRYCOXFAEIQU-UHFFFAOYSA-N
XLogP3.82
TPSA133.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.26
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

5-[[4-(2-amino-4-fluorophenyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-[(1,1-dihydroxythian-4-yl)methyl]pyridine-2-carboxamide
CID 174232822
5-[[4-(3-amino-5-ethynyl-4-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-2-carboxamide
CID 166462859
4-(2-amino-4-fluorophenyl)-2-chloro-N-[5-chloro-6-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-pyridinyl]-5-fluorobenzamide
CID 167302619
2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-5-fluoro-4-(4-fluoro-2-prop-2-ynylphenyl)benzamide
CID 167302312
[2-[5-chloro-4-[[5-chloro-6-(triazol-2-yl)-3-pyridinyl]carbamoyl]-2-fluorophenyl]-5-fluorophenyl]carbamic acid
CID 175833527
5-[(2-chloro-4,5-difluorobenzoyl)amino]-2-methoxypyridine-3-carboxamide
CID 167829005
2-chloro-N-[5-chloro-6-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-pyridinyl]-5-fluoro-4-[4-fluoro-2-(2-methoxyethylamino)phenyl]benzamide
CID 167302611
2-chloro-N-[5-chloro-6-(triazol-2-yl)-3-pyridinyl]-4-[2-(cyclopropylamino)-4-fluorophenyl]-5-fluorobenzamide
CID 166463000
2-chloro-N-[5-chloro-6-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-3-pyridinyl]-5-fluoro-4-[4-fluoro-2-(2-hydroxyethylamino)phenyl]benzamide
CID 167302310
2-amino-4-chloro-N-(6-fluoro-3-pyridinyl)benzamide
CID 114052632
2-chloro-N-(6-fluoro-3-pyridinyl)-5-nitrobenzamide
CID 103793429
2-chloro-5-fluoro-4-(4-fluoro-2-iodophenyl)-N-[6-(triazol-2-yl)-5-(trifluoromethyl)-3-pyridinyl]benzamide
CID 166463101

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide (CID 166463109) is 5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide is N#CCNC(=O)c1ncc(NC(=O)c2cc(F)c(-c3ccc(F)nc3N)cc2Cl)cc1Cl.
What is the InChIKey of 5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide?
The InChIKey is RHQRYCOXFAEIQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F2N6O2/c21-13-6-11(10-1-2-16(24)30-18(10)26)15(23)7-12(13)19(31)29-9-5-14(22)17(28-8-9)20(32)27-4-3-25/h1-2,5-8H,4H2,(H2,26,30)(H,27,32)(H,29,31).
What are the key properties of 5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide?
5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide has a molecular weight of 477.26 g/mol, XLogP of 3.82, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-amino-6-fluoro-3-pyridinyl)-2-chloro-5-fluorobenzoyl]amino]-3-chloro-N-(cyanomethyl)pyridine-2-carboxamide is sourced from PubChem (CID 166463109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).