6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine

C12H14ClN3 — CID 115925226

IUPAC6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
SMILESCc1cc(NCc2ccn(C)c2)cnc1Cl
InChIInChI=1S/C12H14ClN3/c1-9-5-11(7-15-12(9)13)14-6-10-3-4-16(2)8-10/h3-5,7-8,14H,6H2,1-2H3
InChIKeyKKVKXYPPROJBBL-UHFFFAOYSA-N
MW235.72 g/mol
LogP2.99
Rot. Bonds3

About 6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine

6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine (PubChem CID 115925226) has the molecular formula C12H14ClN3 and a molecular weight of 235.72 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
PubChem CID115925226
Molecular FormulaC12H14ClN3
Molecular Weight235.72 g/mol
Exact Mass235.09
IUPAC Name6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine
SMILESCc1cc(NCc2ccn(C)c2)cnc1Cl
InChIInChI=1S/C12H14ClN3/c1-9-5-11(7-15-12(9)13)14-6-10-3-4-16(2)8-10/h3-5,7-8,14H,6H2,1-2H3
InChIKeyKKVKXYPPROJBBL-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.72
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine (CID 115925226) is 6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine is Cc1cc(NCc2ccn(C)c2)cnc1Cl.
What is the InChIKey of 6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine?
The InChIKey is KKVKXYPPROJBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3/c1-9-5-11(7-15-12(9)13)14-6-10-3-4-16(2)8-10/h3-5,7-8,14H,6H2,1-2H3.
What are the key properties of 6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine?
6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine has a molecular weight of 235.72 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[(1-methylpyrrol-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 115925226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).