N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide

C18H23N5O — CID 95322900

IUPACN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
SMILESO=C(CN[C@@H]1CCc2ncnn2C1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H23N5O/c24-18(10-19-14-8-9-17-20-12-21-23(17)11-14)22-16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,12,14,16,19H,3,5,7-11H2,(H,22,24)/t14-,16+/m1/s1
InChIKeyOSROEISDLLEKRQ-ZBFHGGJFSA-N
MW325.42 g/mol
LogP1.38
Rot. Bonds4

About N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide

N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide (PubChem CID 95322900) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide.

Molecular Properties

Compound NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
PubChem CID95322900
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide
SMILESO=C(CN[C@@H]1CCc2ncnn2C1)N[C@H]1CCCc2ccccc21
InChIInChI=1S/C18H23N5O/c24-18(10-19-14-8-9-17-20-12-21-23(17)11-14)22-16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,12,14,16,19H,3,5,7-11H2,(H,22,24)/t14-,16+/m1/s1
InChIKeyOSROEISDLLEKRQ-ZBFHGGJFSA-N
XLogP1.38
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The IUPAC name of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide (CID 95322900) is N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide.
What is the SMILES notation for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The canonical SMILES for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide is O=C(CN[C@@H]1CCc2ncnn2C1)N[C@H]1CCCc2ccccc21.
What is the InChIKey of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
The InChIKey is OSROEISDLLEKRQ-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H23N5O/c24-18(10-19-14-8-9-17-20-12-21-23(17)11-14)22-16-7-3-5-13-4-1-2-6-15(13)16/h1-2,4,6,12,14,16,19H,3,5,7-11H2,(H,22,24)/t14-,16+/m1/s1.
What are the key properties of N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide?
N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]acetamide is sourced from PubChem (CID 95322900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).