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

C19H19N5O2 — CID 95771081

IUPAC2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide
SMILESO=C(C[C@H]1CCOc2ccccc21)Nc1ncn(Cc2cccnc2)n1
InChIInChI=1S/C19H19N5O2/c25-18(10-15-7-9-26-17-6-2-1-5-16(15)17)22-19-21-13-24(23-19)12-14-4-3-8-20-11-14/h1-6,8,11,13,15H,7,9-10,12H2,(H,22,23,25)/t15-/m1/s1
InChIKeyOHNLTAXSVXYLMM-OAHLLOKOSA-N
MW349.39 g/mol
LogP2.62
Rot. Bonds5

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

2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide (PubChem CID 95771081) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide
PubChem CID95771081
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide
SMILESO=C(C[C@H]1CCOc2ccccc21)Nc1ncn(Cc2cccnc2)n1
InChIInChI=1S/C19H19N5O2/c25-18(10-15-7-9-26-17-6-2-1-5-16(15)17)22-19-21-13-24(23-19)12-14-4-3-8-20-11-14/h1-6,8,11,13,15H,7,9-10,12H2,(H,22,23,25)/t15-/m1/s1
InChIKeyOHNLTAXSVXYLMM-OAHLLOKOSA-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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Related Compounds

2-[(4S)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]acetamide
CID 97214477
2-(3,4-dihydro-2H-chromen-4-yl)-N-pyrazin-2-ylacetamide
CID 75508730
3-ethylsulfanyl-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]propanamide
CID 51101614
N-(cyclopropylmethyl)-2-[(4R)-1'-(pyridin-3-ylmethyl)spiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]acetamide
CID 97376225
2-(3,4-dihydro-2H-chromen-4-yl)-N-methyl-1-pyridin-3-ylethanamine
CID 104770146
N-[3-[[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]amino]phenyl]propanamide
CID 95771072
1-(3,4-dihydro-2H-chromen-4-yl)propan-2-one
CID 14203080
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)acetamide
CID 124607407
2-(3,4-dihydro-2H-chromen-4-yl)-N-prop-2-enylacetamide
CID 110680415
2-(2,3-dihydro-1-benzofuran-3-yl)-N-pyridin-2-ylacetamide
CID 110753861
methyl 1-(3,4-dihydro-2H-chromen-4-ylmethyl)-1,2,4-triazole-3-carboxylate
CID 104768768
1-(3,4-dihydro-2H-chromen-4-yl)-4-phenylbutan-2-one
CID 104769764

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
The IUPAC name of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide (CID 95771081) is 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide.
What is the SMILES notation for 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
The canonical SMILES for 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide is O=C(C[C@H]1CCOc2ccccc21)Nc1ncn(Cc2cccnc2)n1.
What is the InChIKey of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
The InChIKey is OHNLTAXSVXYLMM-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N5O2/c25-18(10-15-7-9-26-17-6-2-1-5-16(15)17)22-19-21-13-24(23-19)12-14-4-3-8-20-11-14/h1-6,8,11,13,15H,7,9-10,12H2,(H,22,23,25)/t15-/m1/s1.
What are the key properties of 2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide?
2-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-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-[(4R)-3,4-dihydro-2H-chromen-4-yl]-N-[1-(pyridin-3-ylmethyl)-1,2,4-triazol-3-yl]acetamide is sourced from PubChem (CID 95771081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).