N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine

C11H14N4O — CID 62763558

IUPACN-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncccc1CNCc1cnc[nH]1
InChIInChI=1S/C11H14N4O/c1-16-11-9(3-2-4-14-11)5-12-6-10-7-13-8-15-10/h2-4,7-8,12H,5-6H2,1H3,(H,13,15)
InChIKeyLZFNJYGFYLOFTP-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.10
Rot. Bonds5

About N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine

N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine (PubChem CID 62763558) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
PubChem CID62763558
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
SMILESCOc1ncccc1CNCc1cnc[nH]1
InChIInChI=1S/C11H14N4O/c1-16-11-9(3-2-4-14-11)5-12-6-10-7-13-8-15-10/h2-4,7-8,12H,5-6H2,1H3,(H,13,15)
InChIKeyLZFNJYGFYLOFTP-UHFFFAOYSA-N
XLogP1.10
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-imidazol-5-ylmethyl)-1-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanamine
CID 42528467
1-(2-ethoxyphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 63000716
2-[2-[[(2-methoxy-3-pyridinyl)methylamino]methyl]phenyl]acetic acid
CID 115461656
N-(1H-imidazol-5-ylmethyl)-1-(2,3,4-trimethoxyphenyl)methanamine
CID 63002008
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60761595
N-(1H-indazol-7-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine
CID 71974601
1-(2,3-dimethoxyphenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 60761596
1-(4-chlorophenyl)-N-[(2-methoxy-3-pyridinyl)methyl]methanamine
CID 54920418
1-(2-methoxy-3-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 114180399
(2S)-1-[(2-methoxy-3-pyridinyl)methylamino]propan-2-ol
CID 106931879
N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxy-3-pyridinyl)methanamine
CID 60859308
N'-[(2-methoxy-3-pyridinyl)methyl]propane-1,3-diamine
CID 21271684

Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine?
The IUPAC name of N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine (CID 62763558) is N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine.
What is the SMILES notation for N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine?
The canonical SMILES for N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine is COc1ncccc1CNCc1cnc[nH]1.
What is the InChIKey of N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine?
The InChIKey is LZFNJYGFYLOFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-11-9(3-2-4-14-11)5-12-6-10-7-13-8-15-10/h2-4,7-8,12H,5-6H2,1H3,(H,13,15).
What are the key properties of N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine?
N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine has a molecular weight of 218.26 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-5-ylmethyl)-1-(2-methoxy-3-pyridinyl)methanamine is sourced from PubChem (CID 62763558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).