2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine

C16H16ClN3 — CID 107236049

IUPAC2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine
SMILESCc1c(CNc2ccnc(Cl)c2)n(C)c2ccccc12
InChIInChI=1S/C16H16ClN3/c1-11-13-5-3-4-6-14(13)20(2)15(11)10-19-12-7-8-18-16(17)9-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyDIBXMRNVPYELBI-UHFFFAOYSA-N
MW285.78 g/mol
LogP4.15
Rot. Bonds3

About 2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine

2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine (PubChem CID 107236049) has the molecular formula C16H16ClN3 and a molecular weight of 285.78 g/mol. Its IUPAC name is 2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine
PubChem CID107236049
Molecular FormulaC16H16ClN3
Molecular Weight285.78 g/mol
Exact Mass285.10
IUPAC Name2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine
SMILESCc1c(CNc2ccnc(Cl)c2)n(C)c2ccccc12
InChIInChI=1S/C16H16ClN3/c1-11-13-5-3-4-6-14(13)20(2)15(11)10-19-12-7-8-18-16(17)9-12/h3-9H,10H2,1-2H3,(H,18,19)
InChIKeyDIBXMRNVPYELBI-UHFFFAOYSA-N
XLogP4.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.78
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine?
The IUPAC name of 2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine (CID 107236049) is 2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine?
The canonical SMILES for 2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine is Cc1c(CNc2ccnc(Cl)c2)n(C)c2ccccc12.
What is the InChIKey of 2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine?
The InChIKey is DIBXMRNVPYELBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3/c1-11-13-5-3-4-6-14(13)20(2)15(11)10-19-12-7-8-18-16(17)9-12/h3-9H,10H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine?
2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine has a molecular weight of 285.78 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1,3-dimethylindol-2-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 107236049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).