6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride

C15H19Cl3N4 — CID 87572262

IUPAC6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride
SMILESCNC1(CNc2cnc(Cl)c(-c3ccncc3)c2)CC1.Cl.Cl
InChIInChI=1S/C15H17ClN4.2ClH/c1-17-15(4-5-15)10-20-12-8-13(14(16)19-9-12)11-2-6-18-7-3-11;;/h2-3,6-9,17,20H,4-5,10H2,1H3;2*1H
InChIKeyVWTIUHXMIUHDDN-UHFFFAOYSA-N
MW361.70 g/mol
LogP3.80
Rot. Bonds5

About 6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride

6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride (PubChem CID 87572262) has the molecular formula C15H19Cl3N4 and a molecular weight of 361.70 g/mol. Its IUPAC name is 6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride.

Molecular Properties

Compound Name6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride
PubChem CID87572262
Molecular FormulaC15H19Cl3N4
Molecular Weight361.70 g/mol
Exact Mass360.07
IUPAC Name6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride
SMILESCNC1(CNc2cnc(Cl)c(-c3ccncc3)c2)CC1.Cl.Cl
InChIInChI=1S/C15H17ClN4.2ClH/c1-17-15(4-5-15)10-20-12-8-13(14(16)19-9-12)11-2-6-18-7-3-11;;/h2-3,6-9,17,20H,4-5,10H2,1H3;2*1H
InChIKeyVWTIUHXMIUHDDN-UHFFFAOYSA-N
XLogP3.80
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.70
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride?
The IUPAC name of 6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride (CID 87572262) is 6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride.
What is the SMILES notation for 6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride?
The canonical SMILES for 6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride is CNC1(CNc2cnc(Cl)c(-c3ccncc3)c2)CC1.Cl.Cl.
What is the InChIKey of 6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride?
The InChIKey is VWTIUHXMIUHDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4.2ClH/c1-17-15(4-5-15)10-20-12-8-13(14(16)19-9-12)11-2-6-18-7-3-11;;/h2-3,6-9,17,20H,4-5,10H2,1H3;2*1H.
What are the key properties of 6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride?
6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride has a molecular weight of 361.70 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[[1-(methylamino)cyclopropyl]methyl]-5-pyridin-4-ylpyridin-3-amine;dihydrochloride is sourced from PubChem (CID 87572262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).