N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide

C17H13F2N5O3 — CID 139330761

IUPACN-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2COc3cc(-c4noc(C(F)F)n4)cnc32)ccn1
InChIInChI=1S/C17H13F2N5O3/c1-8-4-9(2-3-20-8)16(25)22-11-7-26-12-5-10(6-21-13(11)12)15-23-17(14(18)19)27-24-15/h2-6,11,14H,7H2,1H3,(H,22,25)/t11-/m1/s1
InChIKeyBRUNUVRZGGLSCN-LLVKDONJSA-N
MW373.32 g/mol
LogP2.64
Rot. Bonds4

About N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide

N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide (PubChem CID 139330761) has the molecular formula C17H13F2N5O3 and a molecular weight of 373.32 g/mol. Its IUPAC name is N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide
PubChem CID139330761
Molecular FormulaC17H13F2N5O3
Molecular Weight373.32 g/mol
Exact Mass373.10
IUPAC NameN-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H]2COc3cc(-c4noc(C(F)F)n4)cnc32)ccn1
InChIInChI=1S/C17H13F2N5O3/c1-8-4-9(2-3-20-8)16(25)22-11-7-26-12-5-10(6-21-13(11)12)15-23-17(14(18)19)27-24-15/h2-6,11,14H,7H2,1H3,(H,22,25)/t11-/m1/s1
InChIKeyBRUNUVRZGGLSCN-LLVKDONJSA-N
XLogP2.64
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.32
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide (CID 139330761) is N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H]2COc3cc(-c4noc(C(F)F)n4)cnc32)ccn1.
What is the InChIKey of N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is BRUNUVRZGGLSCN-LLVKDONJSA-N. The full InChI is InChI=1S/C17H13F2N5O3/c1-8-4-9(2-3-20-8)16(25)22-11-7-26-12-5-10(6-21-13(11)12)15-23-17(14(18)19)27-24-15/h2-6,11,14H,7H2,1H3,(H,22,25)/t11-/m1/s1.
What are the key properties of N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide?
N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 373.32 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-6-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydrofuro[3,2-b]pyridin-3-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 139330761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).