N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide

C18H20F2N4O3 — CID 67511291

IUPACN-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NCc2ccc(OCC(C)(F)F)nc2)ccn1
InChIInChI=1S/C18H20F2N4O3/c1-3-15(25)24-14-8-13(6-7-21-14)17(26)23-10-12-4-5-16(22-9-12)27-11-18(2,19)20/h4-9H,3,10-11H2,1-2H3,(H,23,26)(H,21,24,25)
InChIKeyVGVIZKVJAQLXPK-UHFFFAOYSA-N
MW378.38 g/mol
LogP2.79
Rot. Bonds8

About N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide

N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide (PubChem CID 67511291) has the molecular formula C18H20F2N4O3 and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
PubChem CID67511291
Molecular FormulaC18H20F2N4O3
Molecular Weight378.38 g/mol
Exact Mass378.15
IUPAC NameN-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
SMILESCCC(=O)Nc1cc(C(=O)NCc2ccc(OCC(C)(F)F)nc2)ccn1
InChIInChI=1S/C18H20F2N4O3/c1-3-15(25)24-14-8-13(6-7-21-14)17(26)23-10-12-4-5-16(22-9-12)27-11-18(2,19)20/h4-9H,3,10-11H2,1-2H3,(H,23,26)(H,21,24,25)
InChIKeyVGVIZKVJAQLXPK-UHFFFAOYSA-N
XLogP2.79
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(propanoylamino)-N-[[4-(trifluoromethylsulfanyl)phenyl]methyl]pyridine-4-carboxamide
CID 56966803
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509543
2-acetamido-N-[[4-(2,2-difluoropropoxy)-3-methoxyphenyl]methyl]pyridine-4-carboxamide
CID 162566379
N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methyl-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 162566103
N-[[2-piperidin-1-yl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide
CID 67509130
2-(ethylamino)-N-[(6-methyl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 62990051
N-[[6-(2,2-difluoropropoxy)-4-methyl-2-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 162566194
2-acetamido-N-[[5-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67509489
N-[[5-ethyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67510188
N-[[5-chloro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]-2-[(1-methylcyclopropanecarbonyl)amino]pyridine-4-carboxamide
CID 67509188
2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510173
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methyl-6-(propanoylamino)pyridine-4-carboxamide
CID 67509480

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide?
The IUPAC name of N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide (CID 67511291) is N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide?
The canonical SMILES for N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide is CCC(=O)Nc1cc(C(=O)NCc2ccc(OCC(C)(F)F)nc2)ccn1.
What is the InChIKey of N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide?
The InChIKey is VGVIZKVJAQLXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3/c1-3-15(25)24-14-8-13(6-7-21-14)17(26)23-10-12-4-5-16(22-9-12)27-11-18(2,19)20/h4-9H,3,10-11H2,1-2H3,(H,23,26)(H,21,24,25).
What are the key properties of N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide?
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 2.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-(propanoylamino)pyridine-4-carboxamide is sourced from PubChem (CID 67511291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).