N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine

C11H13N3O — CID 69114857

IUPACN-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine
SMILESCOc1cncc(CNc2cc[nH]c2)c1
InChIInChI=1S/C11H13N3O/c1-15-11-4-9(5-13-8-11)6-14-10-2-3-12-7-10/h2-5,7-8,12,14H,6H2,1H3
InChIKeyCTAHQNZVXOOARE-UHFFFAOYSA-N
MW203.25 g/mol
LogP2.03
Rot. Bonds4

About N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine

N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine (PubChem CID 69114857) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine.

Molecular Properties

Compound NameN-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine
PubChem CID69114857
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC NameN-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine
SMILESCOc1cncc(CNc2cc[nH]c2)c1
InChIInChI=1S/C11H13N3O/c1-15-11-4-9(5-13-8-11)6-14-10-2-3-12-7-10/h2-5,7-8,12,14H,6H2,1H3
InChIKeyCTAHQNZVXOOARE-UHFFFAOYSA-N
XLogP2.03
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-ethoxy-3-pyridinyl)methyl]-4-fluoroaniline
CID 166356932
5-(5-methoxy-3-pyridinyl)-N-(naphthalen-2-ylmethyl)pyridin-3-amine
CID 11588162
7-ethyl-5-methoxy-1H-1,3-diazonine
CID 70639979
N-(naphthalen-2-ylmethyl)-1H-pyrrol-3-amine
CID 141147777
3-bromo-5-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102881005
4-chloro-3-methoxy-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 107621623
3-(2-bromoethyl)-5-methoxypyridine
CID 22037882
3-methoxy-5-(2-methylpropyl)pyridine
CID 58531249
4-methoxy-2-methyl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66407677
4-chloro-N-[(5-fluoro-3-pyridinyl)methyl]-3-methoxyaniline
CID 107268067
4-methoxy-2-methyl-N-[(5-methyl-3-pyridinyl)methyl]aniline
CID 102880846
N-[(5-methoxy-3-pyridinyl)methyl]-2-methylpropanamide;molecular hydrogen
CID 171523322

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine?
The IUPAC name of N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine (CID 69114857) is N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine.
What is the SMILES notation for N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine?
The canonical SMILES for N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine is COc1cncc(CNc2cc[nH]c2)c1.
What is the InChIKey of N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine?
The InChIKey is CTAHQNZVXOOARE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-15-11-4-9(5-13-8-11)6-14-10-2-3-12-7-10/h2-5,7-8,12,14H,6H2,1H3.
What are the key properties of N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine?
N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine has a molecular weight of 203.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-3-pyridinyl)methyl]-1H-pyrrol-3-amine is sourced from PubChem (CID 69114857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).