[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

C17H25N3O2 — CID 133496686

IUPAC[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccnc1NCC1(CCO)CC1)N1CCCCC1
InChIInChI=1S/C17H25N3O2/c21-12-8-17(6-7-17)13-19-15-14(5-4-9-18-15)16(22)20-10-2-1-3-11-20/h4-5,9,21H,1-3,6-8,10-13H2,(H,18,19)
InChIKeyCOAZHJPPBQKPFJ-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.28
Rot. Bonds6

About [2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone

[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (PubChem CID 133496686) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is [2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
PubChem CID133496686
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone
SMILESO=C(c1cccnc1NCC1(CCO)CC1)N1CCCCC1
InChIInChI=1S/C17H25N3O2/c21-12-8-17(6-7-17)13-19-15-14(5-4-9-18-15)16(22)20-10-2-1-3-11-20/h4-5,9,21H,1-3,6-8,10-13H2,(H,18,19)
InChIKeyCOAZHJPPBQKPFJ-UHFFFAOYSA-N
XLogP2.28
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
Dipyridodiazepinone deriv. 23
CID 463150
Dipyridodiazepinone deriv. 24
CID 463151
Dipyridodiazepinone deriv. 26
CID 463546
N-2-Pyridinyl-3-pyridinecarboxamide
CID 83187
Nevirapin 2,4-Disubstituted deriv. 12e
CID 464566
N-[(3S)-1-[6-[(4-hydroxy-2-methylbutan-2-yl)amino]pyridine-3-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 146592641
6-(4-benzylpiperidin-1-yl)-N-cyclopropylpyridine-3-carboxamide
CID 44527525
N-ethyl-2-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 3040782
2-(Piperazin-1-yl)pyridine-3-carboxamide
CID 16785637
6-Morpholinonicotinamide
CID 260349
N-(3-Formyl-2-pyridinyl)-2,2-dimethylpropanamide
CID 736837

Frequently Asked Questions

What is the IUPAC name of [2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The IUPAC name of [2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone (CID 133496686) is [2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The canonical SMILES for [2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is O=C(c1cccnc1NCC1(CCO)CC1)N1CCCCC1.
What is the InChIKey of [2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
The InChIKey is COAZHJPPBQKPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c21-12-8-17(6-7-17)13-19-15-14(5-4-9-18-15)16(22)20-10-2-1-3-11-20/h4-5,9,21H,1-3,6-8,10-13H2,(H,18,19).
What are the key properties of [2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone?
[2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone has a molecular weight of 303.41 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]-3-pyridinyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 133496686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).