2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide

C19H21F2N3O4 — CID 162566379

IUPAC2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2ccnc(NC(C)=O)c2)ccc1OCC(C)(F)F
InChIInChI=1S/C19H21F2N3O4/c1-12(25)24-17-9-14(6-7-22-17)18(26)23-10-13-4-5-15(16(8-13)27-3)28-11-19(2,20)21/h4-9H,10-11H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyOYCWVPAJHUVBDZ-UHFFFAOYSA-N
MW393.39 g/mol
LogP3.01
Rot. Bonds8

About 2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide

2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide (PubChem CID 162566379) has the molecular formula C19H21F2N3O4 and a molecular weight of 393.39 g/mol. Its IUPAC name is 2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide
PubChem CID162566379
Molecular FormulaC19H21F2N3O4
Molecular Weight393.39 g/mol
Exact Mass393.15
IUPAC Name2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide
SMILESCOc1cc(CNC(=O)c2ccnc(NC(C)=O)c2)ccc1OCC(C)(F)F
InChIInChI=1S/C19H21F2N3O4/c1-12(25)24-17-9-14(6-7-22-17)18(26)23-10-13-4-5-15(16(8-13)27-3)28-11-19(2,20)21/h4-9H,10-11H2,1-3H3,(H,23,26)(H,22,24,25)
InChIKeyOYCWVPAJHUVBDZ-UHFFFAOYSA-N
XLogP3.01
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[[4-(2,2-difluorobutoxy)-3-methoxyphenyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566329
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4-fluorophenyl)methylamino]pyridine-4-carboxamide
CID 109170648
2-acetamido-N-[[3-methoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-6-methylpyridine-4-carboxamide
CID 67511302
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylpropylamino)pyridine-4-carboxamide
CID 109165743
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 67511291
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
CID 109173887
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109173888
N-(3,4-difluorophenyl)-2-[(3,4-dimethoxyphenyl)methylamino]pyridine-4-carboxamide
CID 109173957
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,4-dimethylanilino)pyridine-4-carboxamide
CID 109173893
2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
2-acetamido-N-[[3-methyl-5-(trifluoromethoxy)phenyl]methyl]pyridine-4-carboxamide
CID 67509879
4-(2-amino-2-oxoethoxy)-N-[(3,4-dimethoxyphenyl)methyl]-3-methoxybenzamide
CID 9082611

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide (CID 162566379) is 2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide is COc1cc(CNC(=O)c2ccnc(NC(C)=O)c2)ccc1OCC(C)(F)F.
What is the InChIKey of 2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide?
The InChIKey is OYCWVPAJHUVBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O4/c1-12(25)24-17-9-14(6-7-22-17)18(26)23-10-13-4-5-15(16(8-13)27-3)28-11-19(2,20)21/h4-9H,10-11H2,1-3H3,(H,23,26)(H,22,24,25).
What are the key properties of 2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide?
2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide has a molecular weight of 393.39 g/mol, XLogP of 3.01, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 162566379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).