N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

C18H17F2N5O2 — CID 42522661

IUPACN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)CCn2cncn2)c(F)c1F
InChIInChI=1S/C18H17F2N5O2/c1-12-4-5-14(17(20)16(12)19)27-18-13(3-2-7-22-18)9-23-15(26)6-8-25-11-21-10-24-25/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,26)
InChIKeyADASUHAICRODSM-UHFFFAOYSA-N
MW373.36 g/mol
LogP2.76
Rot. Bonds7

About N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide

N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (PubChem CID 42522661) has the molecular formula C18H17F2N5O2 and a molecular weight of 373.36 g/mol. Its IUPAC name is N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
PubChem CID42522661
Molecular FormulaC18H17F2N5O2
Molecular Weight373.36 g/mol
Exact Mass373.14
IUPAC NameN-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)CCn2cncn2)c(F)c1F
InChIInChI=1S/C18H17F2N5O2/c1-12-4-5-14(17(20)16(12)19)27-18-13(3-2-7-22-18)9-23-15(26)6-8-25-11-21-10-24-25/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,26)
InChIKeyADASUHAICRODSM-UHFFFAOYSA-N
XLogP2.76
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The IUPAC name of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide (CID 42522661) is N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide.
What is the SMILES notation for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The canonical SMILES for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is Cc1ccc(Oc2ncccc2CNC(=O)CCn2cncn2)c(F)c1F.
What is the InChIKey of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
The InChIKey is ADASUHAICRODSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N5O2/c1-12-4-5-14(17(20)16(12)19)27-18-13(3-2-7-22-18)9-23-15(26)6-8-25-11-21-10-24-25/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,26).
What are the key properties of N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide?
N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide has a molecular weight of 373.36 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,3-difluoro-4-methylphenoxy)-3-pyridinyl]methyl]-3-(1,2,4-triazol-1-yl)propanamide is sourced from PubChem (CID 42522661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).