2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide

C19H19N5O2 — CID 97214477

IUPAC2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide
SMILESO=C(C[C@@H]1CCOc2ccccc21)Nc1ncn(Cc2ccccn2)n1
InChIInChI=1S/C19H19N5O2/c25-18(11-14-8-10-26-17-7-2-1-6-16(14)17)22-19-21-13-24(23-19)12-15-5-3-4-9-20-15/h1-7,9,13-14H,8,10-12H2,(H,22,23,25)/t14-/m0/s1
InChIKeyFGZDTWCYLIGTPK-AWEZNQCLSA-N
MW349.39 g/mol
LogP2.62
Rot. Bonds5

About 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide

2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 97214477) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID97214477
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide
SMILESO=C(C[C@@H]1CCOc2ccccc21)Nc1ncn(Cc2ccccn2)n1
InChIInChI=1S/C19H19N5O2/c25-18(11-14-8-10-26-17-7-2-1-6-16(14)17)22-19-21-13-24(23-19)12-15-5-3-4-9-20-15/h1-7,9,13-14H,8,10-12H2,(H,22,23,25)/t14-/m0/s1
InChIKeyFGZDTWCYLIGTPK-AWEZNQCLSA-N
XLogP2.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide (CID 97214477) is 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide is O=C(C[C@@H]1CCOc2ccccc21)Nc1ncn(Cc2ccccn2)n1.
What is the InChIKey of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is FGZDTWCYLIGTPK-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(11-14-8-10-26-17-7-2-1-6-16(14)17)22-19-21-13-24(23-19)12-15-5-3-4-9-20-15/h1-7,9,13-14H,8,10-12H2,(H,22,23,25)/t14-/m0/s1.
What are the key properties of 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide has a molecular weight of 349.39 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 97214477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).