2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide

C19H20F3N5O3 — CID 67508666

IUPAC2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OC(C)C(F)(F)F)nc2)nc(NC(=O)C2CC2)n1
InChIInChI=1S/C19H20F3N5O3/c1-10-7-14(26-18(25-10)27-16(28)13-4-5-13)17(29)24-9-12-3-6-15(23-8-12)30-11(2)19(20,21)22/h3,6-8,11,13H,4-5,9H2,1-2H3,(H,24,29)(H,25,26,27,28)
InChIKeyRBCVBJIXYNOOSL-UHFFFAOYSA-N
MW423.40 g/mol
LogP2.79
Rot. Bonds7

About 2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide

2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide (PubChem CID 67508666) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
PubChem CID67508666
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC Name2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(OC(C)C(F)(F)F)nc2)nc(NC(=O)C2CC2)n1
InChIInChI=1S/C19H20F3N5O3/c1-10-7-14(26-18(25-10)27-16(28)13-4-5-13)17(29)24-9-12-3-6-15(23-8-12)30-11(2)19(20,21)22/h3,6-8,11,13H,4-5,9H2,1-2H3,(H,24,29)(H,25,26,27,28)
InChIKeyRBCVBJIXYNOOSL-UHFFFAOYSA-N
XLogP2.79
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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-(cyclopropanecarbonylamino)-N-[[4-(2,2-difluoroethoxy)-3-fluorophenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 87427282
2-(2-cyclopropyl-2-oxoethyl)-N-[[6-[(2R)-1,1,1-trifluoropropan-2-yl]oxy-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 158894130
2-(cyclopropanecarbonylamino)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 67510781
2-acetamido-N-[[6-(2,2-difluoro-3-methylbut-3-enoxy)-3-pyridinyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 162566306
2-(cyclopropanecarbonylamino)-N-[[3-fluoro-4-(2-fluorobut-3-enoxy)phenyl]methyl]-6-methylpyrimidine-4-carboxamide
CID 163887175
2-(cyclopropanecarbonylamino)-6-methyl-N-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]pyrimidine-4-carboxamide
CID 67510555
3,5-dimethyl-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]pyrazine-2-carboxamide
CID 174836820
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109319676
2-(cyclopropanecarbonylamino)-6-methylpyrimidine-4-carboxylic acid
CID 67508732
2-(cyclopropanecarbonylamino)-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrimidine-4-carboxamide
CID 67509993

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide (CID 67508666) is 2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccc(OC(C)C(F)(F)F)nc2)nc(NC(=O)C2CC2)n1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
The InChIKey is RBCVBJIXYNOOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-10-7-14(26-18(25-10)27-16(28)13-4-5-13)17(29)24-9-12-3-6-15(23-8-12)30-11(2)19(20,21)22/h3,6-8,11,13H,4-5,9H2,1-2H3,(H,24,29)(H,25,26,27,28).
What are the key properties of 2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide?
2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-6-methyl-N-[[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 67508666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).