N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide

C14H13ClF2N4O2 — CID 154655469

IUPACN-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide
SMILESCCOc1c(NC(=O)c2cccc(C(F)F)n2)cnc(N)c1Cl
InChIInChI=1S/C14H13ClF2N4O2/c1-2-23-11-9(6-19-13(18)10(11)15)21-14(22)8-5-3-4-7(20-8)12(16)17/h3-6,12H,2H2,1H3,(H2,18,19)(H,21,22)
InChIKeyMBWNBQUCKJINFW-UHFFFAOYSA-N
MW342.73 g/mol
LogP3.30
Rot. Bonds5

About N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide

N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide (PubChem CID 154655469) has the molecular formula C14H13ClF2N4O2 and a molecular weight of 342.73 g/mol. Its IUPAC name is N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide
PubChem CID154655469
Molecular FormulaC14H13ClF2N4O2
Molecular Weight342.73 g/mol
Exact Mass342.07
IUPAC NameN-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide
SMILESCCOc1c(NC(=O)c2cccc(C(F)F)n2)cnc(N)c1Cl
InChIInChI=1S/C14H13ClF2N4O2/c1-2-23-11-9(6-19-13(18)10(11)15)21-14(22)8-5-3-4-7(20-8)12(16)17/h3-6,12H,2H2,1H3,(H2,18,19)(H,21,22)
InChIKeyMBWNBQUCKJINFW-UHFFFAOYSA-N
XLogP3.30
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.73
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide;5-bromo-3-chloro-4-ethoxypyridin-2-amine;5-bromo-4-ethoxypyridin-2-amine;tert-butyl N-(5-bromo-3-chloro-4-ethoxy-2-pyridinyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;tert-butyl N-[3-chloro-5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-4-ethoxy-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate;N-[8-chloro-7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-6-(difluoromethyl)pyridine-2-carboxamide
CID 165108848
methyl 3-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]propanoate
CID 154655144
methyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-1-methylindazole-6-carboxylate
CID 172721526
6-N-(2-chlorophenyl)-2-N-(2-ethoxyphenyl)pyridine-2,6-dicarboxamide
CID 109100812
ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(3-hydroxy-3-methylbutyl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155166875
ethyl 5-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-2-(oxan-4-yl)pyrazolo[1,5-a]pyridine-6-carboxylate
CID 155186656
N-(2-amino-5-chloro-3-pyridinyl)-4-ethoxybenzamide
CID 29155614
6-(difluoromethyl)-N-[7-ethoxy-2-[1-(hydroxymethyl)cyclopropyl]imidazo[1,2-a]pyridin-6-yl]pyridine-2-carboxamide;methyl 1-[6-[[6-(difluoromethyl)pyridine-2-carbonyl]amino]-7-ethoxyimidazo[1,2-a]pyridin-2-yl]cyclopropane-1-carboxylate
CID 164993718
6-(difluoromethyl)-N-[6-(2-hydroxypropan-2-yl)-2-(2-methylsulfonylethyl)indazol-5-yl]pyridine-2-carboxamide
CID 121364958
6-N-(2-ethoxyphenyl)-2-N-(2-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100070
6-(difluoromethyl)-N-(2-ethyl-8-fluoroimidazo[1,2-a]pyridin-6-yl)pyridine-2-carboxamide
CID 154655902
6-N-(2-ethoxyphenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095757

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide (CID 154655469) is N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide is CCOc1c(NC(=O)c2cccc(C(F)F)n2)cnc(N)c1Cl.
What is the InChIKey of N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide?
The InChIKey is MBWNBQUCKJINFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N4O2/c1-2-23-11-9(6-19-13(18)10(11)15)21-14(22)8-5-3-4-7(20-8)12(16)17/h3-6,12H,2H2,1H3,(H2,18,19)(H,21,22).
What are the key properties of N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide?
N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide has a molecular weight of 342.73 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-5-chloro-4-ethoxy-3-pyridinyl)-6-(difluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154655469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).