3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile

C13H19N5 — CID 103468076

IUPAC3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile
SMILESCN1CCC(CNc2ccc(N)c(C#N)n2)CC1
InChIInChI=1S/C13H19N5/c1-18-6-4-10(5-7-18)9-16-13-3-2-11(15)12(8-14)17-13/h2-3,10H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyQIPSQIBALAPKEQ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.29
Rot. Bonds3

About 3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile

3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile (PubChem CID 103468076) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile
PubChem CID103468076
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile
SMILESCN1CCC(CNc2ccc(N)c(C#N)n2)CC1
InChIInChI=1S/C13H19N5/c1-18-6-4-10(5-7-18)9-16-13-3-2-11(15)12(8-14)17-13/h2-3,10H,4-7,9,15H2,1H3,(H,16,17)
InChIKeyQIPSQIBALAPKEQ-UHFFFAOYSA-N
XLogP1.29
TPSA77.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-6-[(1-methylpyrrolidin-3-yl)amino]pyridine-2-carbonitrile
CID 103467847
6-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,6-diamine
CID 80647279
6-[(1-methylpyrrolidin-3-yl)methylamino]pyridine-2-carbonitrile
CID 62406600
6-chloro-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,3-diamine
CID 113316874
4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4,6-triamine
CID 80812495
3-amino-6-(2-hydroxyethylamino)pyridine-2-carbonitrile
CID 103467344
4-methyl-2-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2,5-diamine
CID 79176691
2-N,2-N-dimethyl-4-N-[(1-methylpiperidin-4-yl)methyl]pyrimidine-2,4-diamine
CID 64829485
3-amino-6-(2,2-difluoroethylamino)pyridine-2-carbonitrile
CID 103468887
3-amino-6-(2-methylsulfanylpropylamino)pyridine-2-carbonitrile
CID 103469096
3-amino-6-[(1-hydroxycyclobutyl)methylamino]pyridine-2-carbonitrile
CID 103469214
6-ethoxy-N-[(1-methylpiperidin-4-yl)methyl]pyridin-2-amine
CID 63591478

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile?
The IUPAC name of 3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile (CID 103468076) is 3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile?
The canonical SMILES for 3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile is CN1CCC(CNc2ccc(N)c(C#N)n2)CC1.
What is the InChIKey of 3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile?
The InChIKey is QIPSQIBALAPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-18-6-4-10(5-7-18)9-16-13-3-2-11(15)12(8-14)17-13/h2-3,10H,4-7,9,15H2,1H3,(H,16,17).
What are the key properties of 3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile?
3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile has a molecular weight of 245.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[(1-methylpiperidin-4-yl)methylamino]pyridine-2-carbonitrile is sourced from PubChem (CID 103468076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).