N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine

C17H24N4O — CID 167949484

IUPACN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCn1nccc1[C@@H]1OCCC[C@H]1CNCCc1ccccn1
InChIInChI=1S/C17H24N4O/c1-21-16(8-11-20-21)17-14(5-4-12-22-17)13-18-10-7-15-6-2-3-9-19-15/h2-3,6,8-9,11,14,17-18H,4-5,7,10,12-13H2,1H3/t14-,17+/m0/s1
InChIKeyFYEXAEFMEIJAHB-WMLDXEAASA-N
MW300.41 g/mol
LogP2.12
Rot. Bonds6

About N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine

N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine (PubChem CID 167949484) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine
PubChem CID167949484
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC NameN-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCn1nccc1[C@@H]1OCCC[C@H]1CNCCc1ccccn1
InChIInChI=1S/C17H24N4O/c1-21-16(8-11-20-21)17-14(5-4-12-22-17)13-18-10-7-15-6-2-3-9-19-15/h2-3,6,8-9,11,14,17-18H,4-5,7,10,12-13H2,1H3/t14-,17+/m0/s1
InChIKeyFYEXAEFMEIJAHB-WMLDXEAASA-N
XLogP2.12
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1,3,4-oxadiazol-2-amine
CID 167940033
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methanamine
CID 167970007
1-(2-fluorophenyl)-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]pyrazol-4-amine
CID 167905175
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111620183
1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976235
3-N,3-N-dimethyl-5-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-1H-1,2,4-triazole-3,5-diamine
CID 154761414
N-[[2-(2-methylpyrazol-3-yl)cyclopentyl]methyl]propan-1-amine
CID 81033039
N-[[2-(cyclopropylmethoxy)-4-pyridinyl]methyl]-1-[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
CID 120916560
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanol
CID 130949666
5-bromo-N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 128992017
N-[[2-(pyridin-2-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 81027779
N-[(5,5-dimethyloxolan-2-yl)methyl]-2-pyridin-2-ylethanamine
CID 116521121

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine (CID 167949484) is N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine is Cn1nccc1[C@@H]1OCCC[C@H]1CNCCc1ccccn1.
What is the InChIKey of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine?
The InChIKey is FYEXAEFMEIJAHB-WMLDXEAASA-N. The full InChI is InChI=1S/C17H24N4O/c1-21-16(8-11-20-21)17-14(5-4-12-22-17)13-18-10-7-15-6-2-3-9-19-15/h2-3,6,8-9,11,14,17-18H,4-5,7,10,12-13H2,1H3/t14-,17+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine?
N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine has a molecular weight of 300.41 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxan-3-yl]methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 167949484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).