5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile

C11H17N5 — CID 103468814

IUPAC5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile
SMILESCNCCCN(C)c1ncc(C#N)cc1N
InChIInChI=1S/C11H17N5/c1-14-4-3-5-16(2)11-10(13)6-9(7-12)8-15-11/h6,8,14H,3-5,13H2,1-2H3
InChIKeyVORQKTCTGZJTQT-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.58
Rot. Bonds5

About 5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile

5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile (PubChem CID 103468814) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is 5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile
PubChem CID103468814
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC Name5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile
SMILESCNCCCN(C)c1ncc(C#N)cc1N
InChIInChI=1S/C11H17N5/c1-14-4-3-5-16(2)11-10(13)6-9(7-12)8-15-11/h6,8,14H,3-5,13H2,1-2H3
InChIKeyVORQKTCTGZJTQT-UHFFFAOYSA-N
XLogP0.58
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-6-[3-hydroxybutyl(methyl)amino]pyridine-3-carbonitrile
CID 103469180
5-amino-6-[2,2-difluoroethyl(methyl)amino]pyridine-3-carbonitrile
CID 103469188
5-amino-6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carbonitrile
CID 103467604
N'-(5-chloropyrimidin-4-yl)-N,N'-dimethylpropane-1,3-diamine
CID 105369023
6-chloro-2-N-methyl-2-N-[3-(methylamino)propyl]pyridine-2,3-diamine
CID 115474337
5-amino-6-(4-cyano-N-methylanilino)pyridine-3-carbonitrile
CID 103468332
5-amino-6-[pentyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103468013
2-N-butyl-2-N,5-dimethylpyridine-2,3-diamine
CID 66279285
5-amino-6-[2-methoxyethyl(1-methoxypropan-2-yl)amino]pyridine-3-carbonitrile
CID 103468022
5-bromo-2-[methyl-[3-(methylamino)propyl]amino]benzonitrile
CID 114894134
5-amino-6-[benzyl(propan-2-yl)amino]pyridine-3-carbonitrile
CID 103467234
2-N-(3-methoxypropyl)-2-N,5-dimethylpyridine-2,3-diamine
CID 66279324

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile (CID 103468814) is 5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile is CNCCCN(C)c1ncc(C#N)cc1N.
What is the InChIKey of 5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile?
The InChIKey is VORQKTCTGZJTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-14-4-3-5-16(2)11-10(13)6-9(7-12)8-15-11/h6,8,14H,3-5,13H2,1-2H3.
What are the key properties of 5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile?
5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile has a molecular weight of 219.29 g/mol, XLogP of 0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[methyl-[3-(methylamino)propyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 103468814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).