N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide

C16H17F2N5O2 — CID 157041531

IUPACN-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESCNc1c(N)ncc(Oc2ccnc(NC(=O)C3CC3)c2)c1C(F)F
InChIInChI=1S/C16H17F2N5O2/c1-20-13-12(14(17)18)10(7-22-15(13)19)25-9-4-5-21-11(6-9)23-16(24)8-2-3-8/h4-8,14,20H,2-3H2,1H3,(H2,19,22)(H,21,23,24)
InChIKeyJXENXTBGKGQZGS-UHFFFAOYSA-N
MW349.34 g/mol
LogP3.18
Rot. Bonds6

About N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 157041531) has the molecular formula C16H17F2N5O2 and a molecular weight of 349.34 g/mol. Its IUPAC name is N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID157041531
Molecular FormulaC16H17F2N5O2
Molecular Weight349.34 g/mol
Exact Mass349.14
IUPAC NameN-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide
SMILESCNc1c(N)ncc(Oc2ccnc(NC(=O)C3CC3)c2)c1C(F)F
InChIInChI=1S/C16H17F2N5O2/c1-20-13-12(14(17)18)10(7-22-15(13)19)25-9-4-5-21-11(6-9)23-16(24)8-2-3-8/h4-8,14,20H,2-3H2,1H3,(H2,19,22)(H,21,23,24)
InChIKeyJXENXTBGKGQZGS-UHFFFAOYSA-N
XLogP3.18
TPSA102.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide (CID 157041531) is N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide is CNc1c(N)ncc(Oc2ccnc(NC(=O)C3CC3)c2)c1C(F)F.
What is the InChIKey of N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is JXENXTBGKGQZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O2/c1-20-13-12(14(17)18)10(7-22-15(13)19)25-9-4-5-21-11(6-9)23-16(24)8-2-3-8/h4-8,14,20H,2-3H2,1H3,(H2,19,22)(H,21,23,24).
What are the key properties of N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 349.34 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-amino-4-(difluoromethyl)-5-(methylamino)-3-pyridinyl]oxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 157041531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).