5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide

C13H17ClF3N3O — CID 114923905

IUPAC5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)CCC(F)(F)F)c(Cl)cn1
InChIInChI=1S/C13H17ClF3N3O/c1-3-5-18-11-7-9(10(14)8-19-11)12(21)20(2)6-4-13(15,16)17/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyHOGWYBVHTVLEQZ-UHFFFAOYSA-N
MW323.75 g/mol
LogP3.58
Rot. Bonds6

About 5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide

5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide (PubChem CID 114923905) has the molecular formula C13H17ClF3N3O and a molecular weight of 323.75 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
PubChem CID114923905
Molecular FormulaC13H17ClF3N3O
Molecular Weight323.75 g/mol
Exact Mass323.10
IUPAC Name5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide
SMILESCCCNc1cc(C(=O)N(C)CCC(F)(F)F)c(Cl)cn1
InChIInChI=1S/C13H17ClF3N3O/c1-3-5-18-11-7-9(10(14)8-19-11)12(21)20(2)6-4-13(15,16)17/h7-8H,3-6H2,1-2H3,(H,18,19)
InChIKeyHOGWYBVHTVLEQZ-UHFFFAOYSA-N
XLogP3.58
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-(2-hydroxyethyl)-N-methyl-2-(propylamino)pyridine-4-carboxamide
CID 114922484
5-chloro-N-[2-(dimethylamino)ethyl]-2-(ethylamino)-N-methylpyridine-4-carboxamide
CID 114923600
5-chloro-N-(2-hydroxyethyl)-N-propyl-2-(propylamino)pyridine-4-carboxamide
CID 114922728
5-chloro-N-methyl-N-(1-methylsulfanylpropan-2-yl)-2-(propylamino)pyridine-4-carboxamide
CID 114924378
5-chloro-N-(2-hydroxyethyl)-N-propan-2-yl-2-(propylamino)pyridine-4-carboxamide
CID 114923196
5-chloro-N-(2-ethoxyethyl)-N-ethyl-2-(propylamino)pyridine-4-carboxamide
CID 114923597
5-chloro-2-(ethylamino)-N-propan-2-yl-N-(2,2,2-trifluoroethyl)pyridine-4-carboxamide
CID 114922532
N,N-dibutyl-5-chloro-2-(ethylamino)pyridine-4-carboxamide
CID 114922104
5-chloro-N-(3-methylpentan-3-yl)-2-(propylamino)pyridine-4-carboxamide
CID 106331340
5-chloro-N-cyclopropyl-N-(2-methoxyethyl)-2-(propylamino)pyridine-4-carboxamide
CID 114922793
N-(3-amino-2,2-dimethyl-3-oxopropyl)-5-chloro-2-(propylamino)pyridine-4-carboxamide
CID 106280116
5-chloro-2-(ethylamino)-N-methyl-N-propan-2-ylpyridine-4-carboxamide
CID 114921827

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide (CID 114923905) is 5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide is CCCNc1cc(C(=O)N(C)CCC(F)(F)F)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
The InChIKey is HOGWYBVHTVLEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF3N3O/c1-3-5-18-11-7-9(10(14)8-19-11)12(21)20(2)6-4-13(15,16)17/h7-8H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide?
5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide has a molecular weight of 323.75 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-(propylamino)-N-(3,3,3-trifluoropropyl)pyridine-4-carboxamide is sourced from PubChem (CID 114923905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).