2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide

C19H21F2N5O3 — CID 162566306

IUPAC2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
SMILESC=C(C)C(F)(F)COc1ccc(CNC(=O)c2cc(C)nc(NC(C)=O)n2)cn1
InChIInChI=1S/C19H21F2N5O3/c1-11(2)19(20,21)10-29-16-6-5-14(8-22-16)9-23-17(28)15-7-12(3)24-18(26-15)25-13(4)27/h5-8H,1,9-10H2,2-4H3,(H,23,28)(H,24,25,26,27)
InChIKeyQBVFMJOSHDFYEV-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.66
Rot. Bonds8

About 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide

2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide (PubChem CID 162566306) has the molecular formula C19H21F2N5O3 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
PubChem CID162566306
Molecular FormulaC19H21F2N5O3
Molecular Weight405.41 g/mol
Exact Mass405.16
IUPAC Name2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
SMILESC=C(C)C(F)(F)COc1ccc(CNC(=O)c2cc(C)nc(NC(C)=O)n2)cn1
InChIInChI=1S/C19H21F2N5O3/c1-11(2)19(20,21)10-29-16-6-5-14(8-22-16)9-23-17(28)15-7-12(3)24-18(26-15)25-13(4)27/h5-8H,1,9-10H2,2-4H3,(H,23,28)(H,24,25,26,27)
InChIKeyQBVFMJOSHDFYEV-UHFFFAOYSA-N
XLogP2.66
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-5-methoxy-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 162566142
2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 67508666
6-methyl-2-(methylamino)-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrimidine-4-carboxamide
CID 136539684
N-[[6-(2,2-difluoropropoxy)-3-pyridinyl]methyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 67509543
3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 174836820
6-methyl-2-(3-methyl-2-oxobutyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyrimidine-4-carboxamide
CID 147802395
2-acetamido-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510299
2-methyl-6-(2-methylpropanoylamino)-N-[[6-(2,2,3,3,3-pentafluoropropoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426679
2-[(2-cyclopropylacetyl)amino]-6-methyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 67510173
2-methylpropan-2-amine;N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 171928236
N-[4-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]butanoyl]-6-methylpyrimidin-2-yl]acetamide
CID 158242267
2-(3-acetamidoanilino)-N-benzyl-6-methylpyrimidine-4-carboxamide
CID 109327308

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide (CID 162566306) is 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide is C=C(C)C(F)(F)COc1ccc(CNC(=O)c2cc(C)nc(NC(C)=O)n2)cn1.
What is the InChIKey of 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
The InChIKey is QBVFMJOSHDFYEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O3/c1-11(2)19(20,21)10-29-16-6-5-14(8-22-16)9-23-17(28)15-7-12(3)24-18(26-15)25-13(4)27/h5-8H,1,9-10H2,2-4H3,(H,23,28)(H,24,25,26,27).
What are the key properties of 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide?
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 2.66, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 162566306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).