N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine

C13H17N3O — CID 66411078

IUPACN-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine
SMILESCCn1cccc1CNc1ccc(OC)nc1
InChIInChI=1S/C13H17N3O/c1-3-16-8-4-5-12(16)10-14-11-6-7-13(17-2)15-9-11/h4-9,14H,3,10H2,1-2H3
InChIKeyKVLZZTGJQHEAKL-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.52
Rot. Bonds5

About N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine

N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine (PubChem CID 66411078) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine
PubChem CID66411078
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine
SMILESCCn1cccc1CNc1ccc(OC)nc1
InChIInChI=1S/C13H17N3O/c1-3-16-8-4-5-12(16)10-14-11-6-7-13(17-2)15-9-11/h4-9,14H,3,10H2,1-2H3
InChIKeyKVLZZTGJQHEAKL-UHFFFAOYSA-N
XLogP2.52
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-4-fluoroaniline
CID 66410705
N-[(1-ethylpyrrol-2-yl)methyl]-4-iodoaniline
CID 66413470
N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
N-[(1-ethylpyrrol-2-yl)methyl]-1-methylpyrazol-4-amine
CID 66411904
N-[(1-ethylpyrrol-2-yl)methyl]-4-pyrazol-1-ylaniline
CID 66412112
2-[4-[(1-ethylpyrrol-2-yl)methylamino]phenoxy]acetonitrile
CID 66410714
6-methoxy-N-(1H-pyrrol-2-ylmethyl)pyridin-3-amine
CID 62326998
N-[4-[(1-ethylpyrrol-2-yl)methylamino]phenyl]methanesulfonamide
CID 66411151
N-[(1-ethylpyrrol-2-yl)methyl]naphthalen-2-amine
CID 66411324
N-[(1-ethylpyrazol-4-yl)methyl]-6-methoxypyridin-3-amine
CID 62128287
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-6-methoxypyridin-3-amine
CID 64800422
6-methoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]pyridin-3-amine
CID 62741207

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine?
The IUPAC name of N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine (CID 66411078) is N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine.
What is the SMILES notation for N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine?
The canonical SMILES for N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine is CCn1cccc1CNc1ccc(OC)nc1.
What is the InChIKey of N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine?
The InChIKey is KVLZZTGJQHEAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-16-8-4-5-12(16)10-14-11-6-7-13(17-2)15-9-11/h4-9,14H,3,10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine?
N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrol-2-yl)methyl]-6-methoxypyridin-3-amine is sourced from PubChem (CID 66411078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).