(2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide

C16H17N3O2 — CID 99959485

IUPAC(2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCN(Cc1cnccn1)C(=O)[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C16H17N3O2/c1-19(11-13-10-17-8-9-18-13)16(20)15-7-6-12-4-2-3-5-14(12)21-15/h2-5,8-10,15H,6-7,11H2,1H3/t15-/m0/s1
InChIKeyCGZYXAROCJCCOZ-HNNXBMFYSA-N
MW283.33 g/mol
LogP1.83
Rot. Bonds3

About (2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide

(2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 99959485) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID99959485
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name(2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
SMILESCN(Cc1cnccn1)C(=O)[C@@H]1CCc2ccccc2O1
InChIInChI=1S/C16H17N3O2/c1-19(11-13-10-17-8-9-18-13)16(20)15-7-6-12-4-2-3-5-14(12)21-15/h2-5,8-10,15H,6-7,11H2,1H3/t15-/m0/s1
InChIKeyCGZYXAROCJCCOZ-HNNXBMFYSA-N
XLogP1.83
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-hydroxy-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 19815598
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 70736931
1-[(2S)-3,4-dihydro-2H-chromen-2-yl]propan-1-one
CID 158725223
N-[[1-(3-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-3,4-dihydro-2H-chromene-2-carboxamide
CID 86284156
N-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 91793841
N-(3-pyridin-2-ylpropyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 90649003
(3R)-1-cycloheptyl-N-methyl-6-oxo-N-(pyrazin-2-ylmethyl)piperidine-3-carboxamide
CID 26328640
(4R)-N-methyl-N-(pyrazin-2-ylmethyl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
CID 95889417
1-(3,4-dihydro-2H-chromen-2-yl)-2,2-dimethylpropan-1-one
CID 23567144
(2R)-N-methyl-N-[[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]methyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 97273438
N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
3-(9H-fluoren-2-yl)-1-methyl-1-(pyrazin-2-ylmethyl)urea
CID 56792360

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide (CID 99959485) is (2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide is CN(Cc1cnccn1)C(=O)[C@@H]1CCc2ccccc2O1.
What is the InChIKey of (2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is CGZYXAROCJCCOZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-19(11-13-10-17-8-9-18-13)16(20)15-7-6-12-4-2-3-5-14(12)21-15/h2-5,8-10,15H,6-7,11H2,1H3/t15-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide?
(2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(pyrazin-2-ylmethyl)-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 99959485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).