(6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C12H18N4O2 — CID 62239740

IUPAC(6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H18N4O2/c13-11-3-1-2-10(14-11)12(18)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2,(H2,13,14)
InChIKeyZKPPPXNVDNKKIE-UHFFFAOYSA-N
MW250.30 g/mol
LogP-0.59
Rot. Bonds3

About (6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 62239740) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID62239740
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name(6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1cccc(C(=O)N2CCN(CCO)CC2)n1
InChIInChI=1S/C12H18N4O2/c13-11-3-1-2-10(14-11)12(18)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2,(H2,13,14)
InChIKeyZKPPPXNVDNKKIE-UHFFFAOYSA-N
XLogP-0.59
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-hydroxyethyl)piperazin-1-yl]-(6-methoxy-2-pyridinyl)methanone
CID 84581420
(6-amino-2-pyridinyl)-piperazin-1-ylmethanone
CID 82507133
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-[6-(methylamino)-2-pyridinyl]methanone
CID 107226312
(6-amino-2-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62239764
(3-aminophenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43501278
tert-butyl 4-(6-aminopyridine-2-carbonyl)piperazine-1-carboxylate
CID 134342426
(6-amino-2-pyridinyl)-(1,1-dioxo-1,4-thiazepan-4-yl)methanone
CID 103832155
(6-amino-2-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 62240676
(6-amino-2-pyridinyl)-[4-(methoxymethyl)piperidin-1-yl]methanone;hydrochloride
CID 119999102
(2,3-dihydroxyphenyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 114343978
[4-(2-hydroxyethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 110475446
1-[4-(6-aminopyridine-2-carbonyl)-1,4-diazepan-1-yl]-2-(3-methoxyphenoxy)ethanone
CID 134704357

Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 62239740) is (6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is Nc1cccc(C(=O)N2CCN(CCO)CC2)n1.
What is the InChIKey of (6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is ZKPPPXNVDNKKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c13-11-3-1-2-10(14-11)12(18)16-6-4-15(5-7-16)8-9-17/h1-3,17H,4-9H2,(H2,13,14).
What are the key properties of (6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 250.30 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 62239740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).