acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine

C17H24N4O3 — CID 163334004

IUPACacetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine
SMILESCC(=O)O.Nc1cc(-c2nccn2CCC2CCCOC2)ccn1
InChIInChI=1S/C15H20N4O.C2H4O2/c16-14-10-13(3-5-17-14)15-18-6-8-19(15)7-4-12-2-1-9-20-11-12;1-2(3)4/h3,5-6,8,10,12H,1-2,4,7,9,11H2,(H2,16,17);1H3,(H,3,4)
InChIKeyOTBQQWFIOAEOEV-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.43
Rot. Bonds4

About acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine

acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine (PubChem CID 163334004) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Nameacetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine
PubChem CID163334004
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Nameacetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine
SMILESCC(=O)O.Nc1cc(-c2nccn2CCC2CCCOC2)ccn1
InChIInChI=1S/C15H20N4O.C2H4O2/c16-14-10-13(3-5-17-14)15-18-6-8-19(15)7-4-12-2-1-9-20-11-12;1-2(3)4/h3,5-6,8,10,12H,1-2,4,7,9,11H2,(H2,16,17);1H3,(H,3,4)
InChIKeyOTBQQWFIOAEOEV-UHFFFAOYSA-N
XLogP2.43
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methoxy-5-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]benzoic acid
CID 154570731
4-[3-(2-cyclobutylethyl)imidazol-4-yl]pyridin-2-amine
CID 114722232
2-[1-[2-(oxolan-3-yl)ethyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893996
4-(4-methyl-2-pyridinyl)-N-[[(3S)-oxan-3-yl]methyl]benzamide
CID 126444759
2-(2-methoxy-3,5-dimethylphenyl)-1-(oxan-3-ylmethyl)imidazole
CID 56876111
N,N-diethyl-4-(oxan-3-ylmethylamino)pyridine-2-carboxamide
CID 61019704
3-[2-(4-aminophenyl)imidazol-1-yl]-N-cyclopropylpropanamide
CID 62625785
3-[1-[2-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]ethyl]imidazol-2-yl]benzoic acid
CID 154564918
2-(oxan-3-yl)-N-[3-(2-propan-2-ylimidazol-1-yl)propyl]acetamide
CID 131911826
6-methoxy-3-[2-(oxan-3-yl)ethyl]quinazolin-4-one
CID 131924703
3-[2-(4-aminophenyl)imidazol-1-yl]propanamide
CID 60998965
4-[1-(cyclobutylmethyl)imidazol-2-yl]aniline
CID 65458282

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine?
The IUPAC name of acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine (CID 163334004) is acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine?
The canonical SMILES for acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine is CC(=O)O.Nc1cc(-c2nccn2CCC2CCCOC2)ccn1.
What is the InChIKey of acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine?
The InChIKey is OTBQQWFIOAEOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.C2H4O2/c16-14-10-13(3-5-17-14)15-18-6-8-19(15)7-4-12-2-1-9-20-11-12;1-2(3)4/h3,5-6,8,10,12H,1-2,4,7,9,11H2,(H2,16,17);1H3,(H,3,4).
What are the key properties of acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine?
acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine has a molecular weight of 332.40 g/mol, XLogP of 2.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[1-[2-(oxan-3-yl)ethyl]imidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 163334004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).