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

C21H26F2N4O3 — CID 142764975

IUPACN-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide
SMILESCc1cc(OCC(F)F)ncc1CNC(=O)c1cccnc1CCNC(=O)C(C)C
InChIInChI=1S/C21H26F2N4O3/c1-13(2)20(28)25-8-6-17-16(5-4-7-24-17)21(29)27-11-15-10-26-19(9-14(15)3)30-12-18(22)23/h4-5,7,9-10,13,18H,6,8,11-12H2,1-3H3,(H,25,28)(H,27,29)
InChIKeyGZCDQTPQJTYFJN-UHFFFAOYSA-N
MW420.46 g/mol
LogP2.67
Rot. Bonds10

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

N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide (PubChem CID 142764975) has the molecular formula C21H26F2N4O3 and a molecular weight of 420.46 g/mol. Its IUPAC name is N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide
PubChem CID142764975
Molecular FormulaC21H26F2N4O3
Molecular Weight420.46 g/mol
Exact Mass420.20
IUPAC NameN-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide
SMILESCc1cc(OCC(F)F)ncc1CNC(=O)c1cccnc1CCNC(=O)C(C)C
InChIInChI=1S/C21H26F2N4O3/c1-13(2)20(28)25-8-6-17-16(5-4-7-24-17)21(29)27-11-15-10-26-19(9-14(15)3)30-12-18(22)23/h4-5,7,9-10,13,18H,6,8,11-12H2,1-3H3,(H,25,28)(H,27,29)
InChIKeyGZCDQTPQJTYFJN-UHFFFAOYSA-N
XLogP2.67
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.46
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[[4-(2,2-difluoroethoxy)-3-methylphenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide
CID 142764972
N-[[3-(difluoromethoxy)phenyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide
CID 142764991
N-[[4-(2,2-difluoroethoxy)-2-methylphenyl]methyl]-2-methyl-2-(2-methylpropanoylamino)propanamide
CID 175017757
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
N-[(2-amino-3-pyridinyl)methyl]-5-hydroxy-2-methylbenzamide
CID 137338363
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
2-propan-2-ylsulfanyl-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]benzamide
CID 55613755
N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 46489598
N-[[6-(2,2-difluoroethoxy)-2-methyl-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87427034
5-fluoro-N-[(2-hydroxyphenyl)methyl]-2-methylbenzamide
CID 115598801
2-(3,4-dimethylphenyl)sulfanyl-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 38536076
N-[[2-(2,2-difluoroethoxy)-3-pyridinyl]methyl]-2-(methylamino)acetamide
CID 120705557

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide (CID 142764975) is N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide is Cc1cc(OCC(F)F)ncc1CNC(=O)c1cccnc1CCNC(=O)C(C)C.
What is the InChIKey of N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide?
The InChIKey is GZCDQTPQJTYFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N4O3/c1-13(2)20(28)25-8-6-17-16(5-4-7-24-17)21(29)27-11-15-10-26-19(9-14(15)3)30-12-18(22)23/h4-5,7,9-10,13,18H,6,8,11-12H2,1-3H3,(H,25,28)(H,27,29).
What are the key properties of N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide?
N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide has a molecular weight of 420.46 g/mol, XLogP of 2.67, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2-difluoroethoxy)-4-methyl-3-pyridinyl]methyl]-2-[2-(2-methylpropanoylamino)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 142764975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).