2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide

C18H18ClF3N4O2 — CID 142503861

IUPAC2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCCCc2ncc(C(F)(F)F)cc2Cl)cc(C)n1
InChIInChI=1S/C18H18ClF3N4O2/c1-10-6-12(7-16(25-10)26-11(2)27)17(28)23-5-3-4-15-14(19)8-13(9-24-15)18(20,21)22/h6-9H,3-5H2,1-2H3,(H,23,28)(H,25,26,27)
InChIKeyBDMDYPIKTHFKJE-UHFFFAOYSA-N
MW414.82 g/mol
LogP3.78
Rot. Bonds6

About 2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide

2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide (PubChem CID 142503861) has the molecular formula C18H18ClF3N4O2 and a molecular weight of 414.82 g/mol. Its IUPAC name is 2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide
PubChem CID142503861
Molecular FormulaC18H18ClF3N4O2
Molecular Weight414.82 g/mol
Exact Mass414.11
IUPAC Name2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide
SMILESCC(=O)Nc1cc(C(=O)NCCCc2ncc(C(F)(F)F)cc2Cl)cc(C)n1
InChIInChI=1S/C18H18ClF3N4O2/c1-10-6-12(7-16(25-10)26-11(2)27)17(28)23-5-3-4-15-14(19)8-13(9-24-15)18(20,21)22/h6-9H,3-5H2,1-2H3,(H,23,28)(H,25,26,27)
InChIKeyBDMDYPIKTHFKJE-UHFFFAOYSA-N
XLogP3.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.82
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 142503751
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]butanoyl]-6-methyl-2-pyridinyl]acetamide
CID 157106749
2-acetamido-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-methylpyridine-4-carboxamide
CID 175146024
N-[4-[(4R)-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]pentanoyl]-6-methyl-2-pyridinyl]acetamide
CID 159050031
2-acetamido-N-[2-[2-fluoro-4-(trifluoromethyl)phenoxy]ethyl]-6-methylpyridine-4-carboxamide
CID 142503790
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
2-methyl-6-(propanoylamino)-N-[2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]pyridine-4-carboxamide
CID 142503774
2-acetamido-N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67509549
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 22027361
N-[2-[2-chloro-5-(trifluoromethyl)phenoxy]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 142503885
2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide (CID 142503861) is 2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide is CC(=O)Nc1cc(C(=O)NCCCc2ncc(C(F)(F)F)cc2Cl)cc(C)n1.
What is the InChIKey of 2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide?
The InChIKey is BDMDYPIKTHFKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClF3N4O2/c1-10-6-12(7-16(25-10)26-11(2)27)17(28)23-5-3-4-15-14(19)8-13(9-24-15)18(20,21)22/h6-9H,3-5H2,1-2H3,(H,23,28)(H,25,26,27).
What are the key properties of 2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide?
2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide has a molecular weight of 414.82 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propyl]-6-methylpyridine-4-carboxamide is sourced from PubChem (CID 142503861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).