3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C18H17Cl2F3N4O2 — CID 163304199

IUPAC3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCNc1cc(C)cc(Cl)c1NC(=O)NC(=O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H17Cl2F3N4O2/c1-3-4-24-13-6-9(2)5-11(19)14(13)26-17(29)27-16(28)15-12(20)7-10(8-25-15)18(21,22)23/h5-8,24H,3-4H2,1-2H3,(H2,26,27,28,29)
InChIKeyZFSXRZZSCSFYCI-UHFFFAOYSA-N
MW449.26 g/mol
LogP5.50
Rot. Bonds5

About 3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide

3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 163304199) has the molecular formula C18H17Cl2F3N4O2 and a molecular weight of 449.26 g/mol. Its IUPAC name is 3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID163304199
Molecular FormulaC18H17Cl2F3N4O2
Molecular Weight449.26 g/mol
Exact Mass448.07
IUPAC Name3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCCCNc1cc(C)cc(Cl)c1NC(=O)NC(=O)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C18H17Cl2F3N4O2/c1-3-4-24-13-6-9(2)5-11(19)14(13)26-17(29)27-16(28)15-12(20)7-10(8-25-15)18(21,22)23/h5-8,24H,3-4H2,1-2H3,(H2,26,27,28,29)
InChIKeyZFSXRZZSCSFYCI-UHFFFAOYSA-N
XLogP5.50
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.26
LogP ≤ 55.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[3-chloro-2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]-5-(trifluoromethyl)phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 2779745
N-[[2-(butylcarbamoyl)-4,6-dichlorophenyl]carbamothioyl]-3-chloro-5-(trifluoromethyl)pyridine-2-carboxamide
CID 175235017
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,2,2-trifluoroethanone
CID 137346954
2-chloro-N-[2-[2-[[3-chloro-5-(trifluoromethyl)pyridine-2-carbonyl]amino]ethylamino]ethyl]-6-methylpyridine-3-carboxamide
CID 10139692
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 2484307
3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138023481
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]propanamide
CID 143960305
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]-3-ethylurea
CID 71994502
3-chloro-N-[2-(1,2-oxazol-3-yl)ethyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138026736
3-chloro-N-[4-chloro-2-methyl-6-[[(2S)-1-methylsulfanylpropan-2-yl]carbamoyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 174991613
N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetamide
CID 2800641

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 163304199) is 3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide is CCCNc1cc(C)cc(Cl)c1NC(=O)NC(=O)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is ZFSXRZZSCSFYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2F3N4O2/c1-3-4-24-13-6-9(2)5-11(19)14(13)26-17(29)27-16(28)15-12(20)7-10(8-25-15)18(21,22)23/h5-8,24H,3-4H2,1-2H3,(H2,26,27,28,29).
What are the key properties of 3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 449.26 g/mol, XLogP of 5.50, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[2-chloro-4-methyl-6-(propylamino)phenyl]carbamoyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 163304199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).