(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone

C19H25N5O2 — CID 124956924

IUPAC(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCC[C@H](Cc2nccnc2NC)C1
InChIInChI=1S/C19H25N5O2/c1-3-26-18-15(7-4-8-23-18)19(25)24-11-5-6-14(13-24)12-16-17(20-2)22-10-9-21-16/h4,7-10,14H,3,5-6,11-13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyFVAUUHQJWCUHRM-CQSZACIVSA-N
MW355.44 g/mol
LogP2.41
Rot. Bonds6

About (2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone

(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone (PubChem CID 124956924) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is (2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
PubChem CID124956924
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
SMILESCCOc1ncccc1C(=O)N1CCC[C@H](Cc2nccnc2NC)C1
InChIInChI=1S/C19H25N5O2/c1-3-26-18-15(7-4-8-23-18)19(25)24-11-5-6-14(13-24)12-16-17(20-2)22-10-9-21-16/h4,7-10,14H,3,5-6,11-13H2,1-2H3,(H,20,22)/t14-/m1/s1
InChIKeyFVAUUHQJWCUHRM-CQSZACIVSA-N
XLogP2.41
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2-ethoxy-3-pyridinyl)-[3-(pyridin-3-ylmethyl)piperidin-1-yl]methanone
CID 127246482
N-[[(3S)-1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]-2-methylpropanamide
CID 94821205
N-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methyl]butanamide
CID 51107687
(2-ethoxy-3-pyridinyl)-[(3R)-3-[(4-methyl-1H-pyrazol-5-yl)methyl]piperidin-1-yl]methanone
CID 125009660
[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-pyrazolo[1,5-a]pyrimidin-3-ylmethanone
CID 125008934
[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(2-ethoxy-3-pyridinyl)methanone
CID 97136974
[4-(methoxymethyl)phenyl]-[(3S)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 124949764
3-amino-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]propan-1-one
CID 110113301
[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 110113209
2-(2-methoxyphenyl)-1-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 110113252
3H-benzimidazol-5-yl-[3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone
CID 110113275
4-[[1-(2-ethoxypyridine-3-carbonyl)piperidin-3-yl]methoxy]-3-methoxybenzonitrile
CID 155504197

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The IUPAC name of (2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone (CID 124956924) is (2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The canonical SMILES for (2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone is CCOc1ncccc1C(=O)N1CCC[C@H](Cc2nccnc2NC)C1.
What is the InChIKey of (2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
The InChIKey is FVAUUHQJWCUHRM-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-26-18-15(7-4-8-23-18)19(25)24-11-5-6-14(13-24)12-16-17(20-2)22-10-9-21-16/h4,7-10,14H,3,5-6,11-13H2,1-2H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone?
(2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone has a molecular weight of 355.44 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-3-pyridinyl)-[(3R)-3-[[3-(methylamino)pyrazin-2-yl]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 124956924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).