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

C17H23N5O — CID 97102372

IUPACN-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@H](C)N[C@@H]2CCCn3nc(C)nc32)c1
InChIInChI=1S/C17H23N5O/c1-11(14-6-4-7-15(10-14)20-13(3)23)18-16-8-5-9-22-17(16)19-12(2)21-22/h4,6-7,10-11,16,18H,5,8-9H2,1-3H3,(H,20,23)/t11-,16+/m0/s1
InChIKeyKNDXMHVCQRMSDX-MEDUHNTESA-N
MW313.41 g/mol
LogP2.73
Rot. Bonds4

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

N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide (PubChem CID 97102372) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide
PubChem CID97102372
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC NameN-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc([C@H](C)N[C@@H]2CCCn3nc(C)nc32)c1
InChIInChI=1S/C17H23N5O/c1-11(14-6-4-7-15(10-14)20-13(3)23)18-16-8-5-9-22-17(16)19-12(2)21-22/h4,6-7,10-11,16,18H,5,8-9H2,1-3H3,(H,20,23)/t11-,16+/m0/s1
InChIKeyKNDXMHVCQRMSDX-MEDUHNTESA-N
XLogP2.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide with MolForge

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Related Compounds

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CID 43206478
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CID 71923246
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CID 60980286
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CID 43200396
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CID 115708260
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CID 95598565
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CID 103240431
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CID 64500396
1-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3-[(3-propan-2-yloxyphenyl)methyl]urea
CID 96990190
N-[3-[1-[[(1S)-1-cyclopentylethyl]amino]ethyl]phenyl]acetamide
CID 81386672

Frequently Asked Questions

What is the IUPAC name of N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide (CID 97102372) is N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc([C@H](C)N[C@@H]2CCCn3nc(C)nc32)c1.
What is the InChIKey of N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide?
The InChIKey is KNDXMHVCQRMSDX-MEDUHNTESA-N. The full InChI is InChI=1S/C17H23N5O/c1-11(14-6-4-7-15(10-14)20-13(3)23)18-16-8-5-9-22-17(16)19-12(2)21-22/h4,6-7,10-11,16,18H,5,8-9H2,1-3H3,(H,20,23)/t11-,16+/m0/s1.
What are the key properties of N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide?
N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide has a molecular weight of 313.41 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(1S)-1-[[(8R)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 97102372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).