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

C12H15N3 — CID 115867856

IUPAC3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine
SMILESCc1cccnc1NCc1ccn(C)c1
InChIInChI=1S/C12H15N3/c1-10-4-3-6-13-12(10)14-8-11-5-7-15(2)9-11/h3-7,9H,8H2,1-2H3,(H,13,14)
InChIKeySHBUWECTQWUVDG-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.34
Rot. Bonds3

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

3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine (PubChem CID 115867856) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine
PubChem CID115867856
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine
SMILESCc1cccnc1NCc1ccn(C)c1
InChIInChI=1S/C12H15N3/c1-10-4-3-6-13-12(10)14-8-11-5-7-15(2)9-11/h3-7,9H,8H2,1-2H3,(H,13,14)
InChIKeySHBUWECTQWUVDG-UHFFFAOYSA-N
XLogP2.34
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 79041862
N-[(4-ethylphenyl)methyl]-3-methylpyridin-2-amine
CID 82679621
N-[(4-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704947
3-methyl-N-(pyrimidin-5-ylmethyl)pyridin-2-amine
CID 66973402
2-ethoxy-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 66397464
4-[[(3-methyl-2-pyridinyl)amino]methyl]benzonitrile
CID 60704932
N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399550
N-[(3-ethyl-2-pyridinyl)methyl]-1-(1-methylpyrrol-3-yl)methanamine
CID 82732935
2-cyano-N-[(1-methylpyrrol-3-yl)methyl]pyridine-3-sulfonamide
CID 106546424
3-methyl-N-[(3-methylfuran-2-yl)methyl]pyridin-2-amine
CID 115735488
6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
CID 115925226

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine (CID 115867856) is 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine is Cc1cccnc1NCc1ccn(C)c1.
What is the InChIKey of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine?
The InChIKey is SHBUWECTQWUVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-10-4-3-6-13-12(10)14-8-11-5-7-15(2)9-11/h3-7,9H,8H2,1-2H3,(H,13,14).
What are the key properties of 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine?
3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine has a molecular weight of 201.27 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 115867856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).