(5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C13H20N4O2 — CID 54917350

IUPAC(5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCc1ncc(N)cc1C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H20N4O2/c1-10-12(8-11(14)9-15-10)13(19)17-4-2-16(3-5-17)6-7-18/h8-9,18H,2-7,14H2,1H3
InChIKeyWRGVFZWJWNDHPH-UHFFFAOYSA-N
MW264.33 g/mol
LogP-0.28
Rot. Bonds3

About (5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 54917350) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID54917350
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESCc1ncc(N)cc1C(=O)N1CCN(CCO)CC1
InChIInChI=1S/C13H20N4O2/c1-10-12(8-11(14)9-15-10)13(19)17-4-2-16(3-5-17)6-7-18/h8-9,18H,2-7,14H2,1H3
InChIKeyWRGVFZWJWNDHPH-UHFFFAOYSA-N
XLogP-0.28
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(5-amino-2-methylpyridine-3-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 61106837
(5-amino-2-fluoro-3-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 103295916
4-(5-amino-2-methylpyridine-3-carbonyl)-1-methylpiperazin-2-one
CID 64682126
(5-amino-2-methyl-3-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835086
(5-amino-2-methyl-3-pyridinyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 54917256
(5-amino-2-methylphenyl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107210135
(2-amino-5-methylphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 55083080
(5-amino-2-methyl-3-pyridinyl)-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107403445
(2-amino-5-nitro-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 104585562
5-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpyridine-3-carboxamide
CID 61241531
(4-amino-5-methyl-1H-pyrazol-3-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 62081573
(5-amino-1H-pyrazol-4-yl)-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]methanone
CID 107224095

Frequently Asked Questions

What is the IUPAC name of (5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 54917350) is (5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is Cc1ncc(N)cc1C(=O)N1CCN(CCO)CC1.
What is the InChIKey of (5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is WRGVFZWJWNDHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10-12(8-11(14)9-15-10)13(19)17-4-2-16(3-5-17)6-7-18/h8-9,18H,2-7,14H2,1H3.
What are the key properties of (5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 264.33 g/mol, XLogP of -0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-methyl-3-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 54917350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).