2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine

C14H19N3O — CID 66411148

IUPAC2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
SMILESCCCn1cccc1CNc1cccnc1OC
InChIInChI=1S/C14H19N3O/c1-3-9-17-10-5-6-12(17)11-16-13-7-4-8-15-14(13)18-2/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyWCXRGDGHSBPDRP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.91
Rot. Bonds6

About 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine

2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine (PubChem CID 66411148) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
PubChem CID66411148
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine
SMILESCCCn1cccc1CNc1cccnc1OC
InChIInChI=1S/C14H19N3O/c1-3-9-17-10-5-6-12(17)11-16-13-7-4-8-15-14(13)18-2/h4-8,10,16H,3,9,11H2,1-2H3
InChIKeyWCXRGDGHSBPDRP-UHFFFAOYSA-N
XLogP2.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411864
2-methoxy-N-[(1-propylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66416306
2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 43721974
2-fluoro-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 114254465
2-methoxy-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473316
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-propylpyrrol-2-yl)methanamine
CID 82731778
ethyl 2-[(1-propylpyrrol-2-yl)methylamino]benzoate
CID 66412680
4-ethoxy-3-methoxy-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66410561
N-[(1-ethylpyrrol-2-yl)methyl]-2-methoxyaniline
CID 66411865
4-methoxy-3-[(1-propylpyrrol-2-yl)methylamino]benzamide
CID 66412138
4-methoxy-3-methyl-N-[(1-propylpyrrol-2-yl)methyl]aniline
CID 66411382
3-chloro-2-N,2-N-dimethyl-1-N-[(1-propylpyrrol-2-yl)methyl]benzene-1,2-diamine
CID 66412332

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine (CID 66411148) is 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine is CCCn1cccc1CNc1cccnc1OC.
What is the InChIKey of 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
The InChIKey is WCXRGDGHSBPDRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-9-17-10-5-6-12(17)11-16-13-7-4-8-15-14(13)18-2/h4-8,10,16H,3,9,11H2,1-2H3.
What are the key properties of 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine?
2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine has a molecular weight of 245.33 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[(1-propylpyrrol-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 66411148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).