N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide

C18H20FIN4O — CID 70295598

IUPACN-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide
SMILESNC1CCC(NC(=O)c2cc(F)cnc2Nc2cccc(I)c2)CC1
InChIInChI=1S/C18H20FIN4O/c19-11-8-16(18(25)24-14-6-4-13(21)5-7-14)17(22-10-11)23-15-3-1-2-12(20)9-15/h1-3,8-10,13-14H,4-7,21H2,(H,22,23)(H,24,25)
InChIKeyQRPALAXWMZZZRD-UHFFFAOYSA-N
MW454.29 g/mol
LogP3.57
Rot. Bonds4

About N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide

N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide (PubChem CID 70295598) has the molecular formula C18H20FIN4O and a molecular weight of 454.29 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide
PubChem CID70295598
Molecular FormulaC18H20FIN4O
Molecular Weight454.29 g/mol
Exact Mass454.07
IUPAC NameN-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide
SMILESNC1CCC(NC(=O)c2cc(F)cnc2Nc2cccc(I)c2)CC1
InChIInChI=1S/C18H20FIN4O/c19-11-8-16(18(25)24-14-6-4-13(21)5-7-14)17(22-10-11)23-15-3-1-2-12(20)9-15/h1-3,8-10,13-14H,4-7,21H2,(H,22,23)(H,24,25)
InChIKeyQRPALAXWMZZZRD-UHFFFAOYSA-N
XLogP3.57
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.29
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-N-[4-[2-(6-fluoroimidazo[1,2-a]pyridin-2-yl)-2-oxoethyl]cyclohexyl]-2-(3-iodoanilino)pyridine-3-carboxamide
CID 159874984
N-(4-aminocyclohexyl)-3-iodobenzamide;hydrochloride
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N-(4-aminocyclohexyl)-5-fluoro-2-hydroxybenzamide
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N-(4-aminocyclohexyl)-2-(3-iodophenyl)acetamide
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N-(4-aminocyclohexyl)-3-fluoropyridine-4-carboxamide
CID 64950869
5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
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1-[4-(4-fluorophenoxy)cyclohexyl]-3-(3-iodophenyl)urea
CID 59168731
[4-[[2-(3-bromo-5-methylanilino)-5-fluoropyridine-3-carbonyl]amino]cyclohexyl]-tert-butylcarbamic acid
CID 66824170
N-(4-aminocyclohexyl)-2-(4-ethoxyanilino)pyridine-3-carboxamide
CID 119474998
N-(4-aminocyclohexyl)-4-chloro-2-fluorobenzamide
CID 62313125

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide (CID 70295598) is N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide is NC1CCC(NC(=O)c2cc(F)cnc2Nc2cccc(I)c2)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide?
The InChIKey is QRPALAXWMZZZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FIN4O/c19-11-8-16(18(25)24-14-6-4-13(21)5-7-14)17(22-10-11)23-15-3-1-2-12(20)9-15/h1-3,8-10,13-14H,4-7,21H2,(H,22,23)(H,24,25).
What are the key properties of N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide?
N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide has a molecular weight of 454.29 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-fluoro-2-(3-iodoanilino)pyridine-3-carboxamide is sourced from PubChem (CID 70295598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).