N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide

C21H25F2N3O3 — CID 161020422

IUPACN-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide
SMILESCCCC(=O)Cc1cc(C(=O)NCc2cnc(OCC(F)F)c(CC)c2)ccn1
InChIInChI=1S/C21H25F2N3O3/c1-3-5-18(27)10-17-9-16(6-7-24-17)20(28)25-11-14-8-15(4-2)21(26-12-14)29-13-19(22)23/h6-9,12,19H,3-5,10-11,13H2,1-2H3,(H,25,28)
InChIKeyTYHFXMGNRSAAQB-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.52
Rot. Bonds11

About N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide

N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide (PubChem CID 161020422) has the molecular formula C21H25F2N3O3 and a molecular weight of 405.45 g/mol. Its IUPAC name is N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide
PubChem CID161020422
Molecular FormulaC21H25F2N3O3
Molecular Weight405.45 g/mol
Exact Mass405.19
IUPAC NameN-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide
SMILESCCCC(=O)Cc1cc(C(=O)NCc2cnc(OCC(F)F)c(CC)c2)ccn1
InChIInChI=1S/C21H25F2N3O3/c1-3-5-18(27)10-17-9-16(6-7-24-17)20(28)25-11-14-8-15(4-2)21(26-12-14)29-13-19(22)23/h6-9,12,19H,3-5,10-11,13H2,1-2H3,(H,25,28)
InChIKeyTYHFXMGNRSAAQB-UHFFFAOYSA-N
XLogP3.52
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 161266007
N-[[3-(2,2-difluoroethoxy)-5-methylphenyl]methyl]-2-(2-oxobutyl)pyridine-4-carboxamide
CID 157148692
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426751
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 159353207
2-(2-oxopentyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
CID 158848716
1-(4-propyl-2-pyridinyl)pentan-2-one
CID 123890630
2-(2-oxopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 158665021
2-(2-methylpropanoylamino)-N-[[5-methyl-6-(2,2,3,3-tetrafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426299
2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114326282
2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 158894130
2-(3-methyl-2-oxobutyl)-N-[[3-methyl-4-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 149184622

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide?
The IUPAC name of N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide (CID 161020422) is N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide?
The canonical SMILES for N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide is CCCC(=O)Cc1cc(C(=O)NCc2cnc(OCC(F)F)c(CC)c2)ccn1.
What is the InChIKey of N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide?
The InChIKey is TYHFXMGNRSAAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2N3O3/c1-3-5-18(27)10-17-9-16(6-7-24-17)20(28)25-11-14-8-15(4-2)21(26-12-14)29-13-19(22)23/h6-9,12,19H,3-5,10-11,13H2,1-2H3,(H,25,28).
What are the key properties of N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide?
N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.52, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2-difluoroethoxy)-5-ethyl-3-pyridinyl]methyl]-2-(2-oxopentyl)pyridine-4-carboxamide is sourced from PubChem (CID 161020422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).