N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide

C24H22N4O2 — CID 29140560

IUPACN-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide
SMILESCC(C)[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1nnc2ccccn12
InChIInChI=1S/C24H22N4O2/c1-15(2)22(23-27-26-20-13-7-8-14-28(20)23)25-24(29)21-16-9-3-5-11-18(16)30-19-12-6-4-10-17(19)21/h3-15,21-22H,1-2H3,(H,25,29)/t22-/m0/s1
InChIKeySSHQOOKXZORSIM-QFIPXVFZSA-N
MW398.47 g/mol
LogP4.48
Rot. Bonds4

About N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide

N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide (PubChem CID 29140560) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide
PubChem CID29140560
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide
SMILESCC(C)[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1nnc2ccccn12
InChIInChI=1S/C24H22N4O2/c1-15(2)22(23-27-26-20-13-7-8-14-28(20)23)25-24(29)21-16-9-3-5-11-18(16)30-19-12-6-4-10-17(19)21/h3-15,21-22H,1-2H3,(H,25,29)/t22-/m0/s1
InChIKeySSHQOOKXZORSIM-QFIPXVFZSA-N
XLogP4.48
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]furan-2-carboxamide
CID 42536093
N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-9H-xanthene-9-carboxamide
CID 17474331
1-(2-hydroxy-4-methylpentyl)-3-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 110922336
2,6-dimethyl-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]thiomorpholine-4-carboxamide
CID 71869921
3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyrrolidine-1-carboxamide
CID 111443965
(2R,3S)-2-methyl-N-[(1S)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 94508687
3-(hydroxymethyl)-N-[2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]piperidine-1-carboxamide
CID 110922342
3,4,5-trimethoxy-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 23474062
(E)-3-(4-fluorophenyl)-N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]prop-2-enamide
CID 23474073
2-(2-methoxyethoxy)-N-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]benzamide
CID 52860674
1-(2,4-difluorophenyl)-3-[(1R)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]urea
CID 95154279
1-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-3-[(Z)-3-phenylprop-2-enyl]urea
CID 97359222

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide (CID 29140560) is N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide is CC(C)[C@H](NC(=O)C1c2ccccc2Oc2ccccc21)c1nnc2ccccn12.
What is the InChIKey of N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide?
The InChIKey is SSHQOOKXZORSIM-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-15(2)22(23-27-26-20-13-7-8-14-28(20)23)25-24(29)21-16-9-3-5-11-18(16)30-19-12-6-4-10-17(19)21/h3-15,21-22H,1-2H3,(H,25,29)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide?
N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-methyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 29140560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).