3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide

C22H27N5O2 — CID 118103816

IUPAC3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2nc3ccc(C)cn3n2)c(OCC2CC2)c1
InChIInChI=1S/C22H27N5O2/c1-4-26(5-2)21(28)17-9-10-18(19(12-17)29-14-16-7-8-16)23-22-24-20-11-6-15(3)13-27(20)25-22/h6,9-13,16H,4-5,7-8,14H2,1-3H3,(H,23,25)
InChIKeyGUQXYUJDNSSECJ-UHFFFAOYSA-N
MW393.49 g/mol
LogP4.05
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide

3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide (PubChem CID 118103816) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
PubChem CID118103816
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC Name3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide
SMILESCCN(CC)C(=O)c1ccc(Nc2nc3ccc(C)cn3n2)c(OCC2CC2)c1
InChIInChI=1S/C22H27N5O2/c1-4-26(5-2)21(28)17-9-10-18(19(12-17)29-14-16-7-8-16)23-22-24-20-11-6-15(3)13-27(20)25-22/h6,9-13,16H,4-5,7-8,14H2,1-3H3,(H,23,25)
InChIKeyGUQXYUJDNSSECJ-UHFFFAOYSA-N
XLogP4.05
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
The IUPAC name of 3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide (CID 118103816) is 3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
The canonical SMILES for 3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide is CCN(CC)C(=O)c1ccc(Nc2nc3ccc(C)cn3n2)c(OCC2CC2)c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
The InChIKey is GUQXYUJDNSSECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-4-26(5-2)21(28)17-9-10-18(19(12-17)29-14-16-7-8-16)23-22-24-20-11-6-15(3)13-27(20)25-22/h6,9-13,16H,4-5,7-8,14H2,1-3H3,(H,23,25).
What are the key properties of 3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide?
3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide has a molecular weight of 393.49 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N,N-diethyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide is sourced from PubChem (CID 118103816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).