2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine

C13H17N3O — CID 66397464

IUPAC2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
SMILESCCOc1ncccc1NCc1ccn(C)c1
InChIInChI=1S/C13H17N3O/c1-3-17-13-12(5-4-7-14-13)15-9-11-6-8-16(2)10-11/h4-8,10,15H,3,9H2,1-2H3
InChIKeyUNUBUURTCSRIBJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.43
Rot. Bonds5

About 2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine

2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine (PubChem CID 66397464) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
PubChem CID66397464
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
SMILESCCOc1ncccc1NCc1ccn(C)c1
InChIInChI=1S/C13H17N3O/c1-3-17-13-12(5-4-7-14-13)15-9-11-6-8-16(2)10-11/h4-8,10,15H,3,9H2,1-2H3
InChIKeyUNUBUURTCSRIBJ-UHFFFAOYSA-N
XLogP2.43
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 ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66414540
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 79041862
2-ethoxy-N-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 43706225
2-ethoxy-N-[(4-ethoxyphenyl)methyl]pyridin-3-amine
CID 43706214
2-methoxy-N-[(1-propylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66416306
N-[(3,5-dimethoxyphenyl)methyl]-2-ethoxypyridin-3-amine
CID 43706520
2-ethoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyridin-3-amine
CID 43706278
2-ethoxy-N-[(3-ethoxyphenyl)methyl]pyridin-3-amine
CID 60874271
2-ethoxy-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 43706224
N-[(3-chloro-4-methylphenyl)methyl]-2-ethoxypyridin-3-amine
CID 106816379
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methyl]pyridin-3-amine
CID 43784042
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine
CID 115867856

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine (CID 66397464) is 2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine is CCOc1ncccc1NCc1ccn(C)c1.
What is the InChIKey of 2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine?
The InChIKey is UNUBUURTCSRIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-17-13-12(5-4-7-14-13)15-9-11-6-8-16(2)10-11/h4-8,10,15H,3,9H2,1-2H3.
What are the key properties of 2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine?
2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 66397464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).