2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide

C19H20F2N6O4 — CID 162431054

IUPAC2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide
SMILESCc1cc(Nc2cc(NC(=O)C3CC3(F)F)ncn2)c(=O)n2c1C(=O)NCCOCC2
InChIInChI=1S/C19H20F2N6O4/c1-10-6-12(18(30)27-3-5-31-4-2-22-17(29)15(10)27)25-13-7-14(24-9-23-13)26-16(28)11-8-19(11,20)21/h6-7,9,11H,2-5,8H2,1H3,(H,22,29)(H2,23,24,25,26,28)
InChIKeyKNHKTAINCJWPIU-UHFFFAOYSA-N
MW434.40 g/mol
LogP1.04
Rot. Bonds4

About 2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide

2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 162431054) has the molecular formula C19H20F2N6O4 and a molecular weight of 434.40 g/mol. Its IUPAC name is 2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide
PubChem CID162431054
Molecular FormulaC19H20F2N6O4
Molecular Weight434.40 g/mol
Exact Mass434.15
IUPAC Name2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide
SMILESCc1cc(Nc2cc(NC(=O)C3CC3(F)F)ncn2)c(=O)n2c1C(=O)NCCOCC2
InChIInChI=1S/C19H20F2N6O4/c1-10-6-12(18(30)27-3-5-31-4-2-22-17(29)15(10)27)25-13-7-14(24-9-23-13)26-16(28)11-8-19(11,20)21/h6-7,9,11H,2-5,8H2,1H3,(H,22,29)(H2,23,24,25,26,28)
InChIKeyKNHKTAINCJWPIU-UHFFFAOYSA-N
XLogP1.04
TPSA127.24 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.40
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide (CID 162431054) is 2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide is Cc1cc(Nc2cc(NC(=O)C3CC3(F)F)ncn2)c(=O)n2c1C(=O)NCCOCC2.
What is the InChIKey of 2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
The InChIKey is KNHKTAINCJWPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O4/c1-10-6-12(18(30)27-3-5-31-4-2-22-17(29)15(10)27)25-13-7-14(24-9-23-13)26-16(28)11-8-19(11,20)21/h6-7,9,11H,2-5,8H2,1H3,(H,22,29)(H2,23,24,25,26,28).
What are the key properties of 2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide?
2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 434.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[6-[(12-methyl-1,9-dioxo-3,4,6,7-tetrahydro-2H-pyrido[1,2-d][1,4,7]oxadiazonin-10-yl)amino]pyrimidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 162431054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).