[6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

C17H23N5O2 — CID 56748072

IUPAC[6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(NCCO)nc1)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C17H23N5O2/c23-9-6-19-16-4-3-15(10-20-16)17(24)22-7-1-2-14(12-22)11-21-8-5-18-13-21/h3-5,8,10,13-14,23H,1-2,6-7,9,11-12H2,(H,19,20)
InChIKeyHVVAANWPHQXNSR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.23
Rot. Bonds6

About [6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone

[6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (PubChem CID 56748072) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is [6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
PubChem CID56748072
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name[6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(NCCO)nc1)N1CCCC(Cn2ccnc2)C1
InChIInChI=1S/C17H23N5O2/c23-9-6-19-16-4-3-15(10-20-16)17(24)22-7-1-2-14(12-22)11-21-8-5-18-13-21/h3-5,8,10,13-14,23H,1-2,6-7,9,11-12H2,(H,19,20)
InChIKeyHVVAANWPHQXNSR-UHFFFAOYSA-N
XLogP1.23
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[6-(azepan-1-yl)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 45228830
[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 107228678
1-[(3R)-1-[6-(2-hydroxyethylamino)pyridine-3-carbonyl]piperidin-3-yl]-3-methylbutan-1-one
CID 95208350
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 90650856
(2-hydroxy-5-pyrrol-1-ylphenyl)-[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95200466
[(3R)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(1H-1,2,4-triazol-5-yl)phenyl]methanone
CID 97116810
[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 96575104
3-methyl-1-[1-[6-(2-pyridin-4-ylethylamino)pyridine-3-carbonyl]piperidin-3-yl]butan-1-one
CID 56755608
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone
CID 95210050
[(3R)-3-(methoxymethyl)piperidin-1-yl]-[6-[(1-propan-2-ylimidazol-2-yl)methylamino]-3-pyridinyl]methanone
CID 95210051
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 56757255
1-[3-(imidazol-1-ylmethyl)piperidin-1-yl]-4-(4-methoxyphenyl)butane-1,4-dione
CID 91779161

Frequently Asked Questions

What is the IUPAC name of [6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of [6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone (CID 56748072) is [6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for [6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is O=C(c1ccc(NCCO)nc1)N1CCCC(Cn2ccnc2)C1.
What is the InChIKey of [6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is HVVAANWPHQXNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c23-9-6-19-16-4-3-15(10-20-16)17(24)22-7-1-2-14(12-22)11-21-8-5-18-13-21/h3-5,8,10,13-14,23H,1-2,6-7,9,11-12H2,(H,19,20).
What are the key properties of [6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone?
[6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 1.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-hydroxyethylamino)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56748072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).