2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile

C13H16F2N4 — CID 166291813

IUPAC2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile
SMILESCC1(CNc2ccnc(N)c2C#N)CCCC1(F)F
InChIInChI=1S/C13H16F2N4/c1-12(4-2-5-13(12,14)15)8-19-10-3-6-18-11(17)9(10)7-16/h3,6H,2,4-5,8H2,1H3,(H3,17,18,19)
InChIKeySGCXNGACAKXRQR-UHFFFAOYSA-N
MW266.29 g/mol
LogP2.77
Rot. Bonds3

About 2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile

2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile (PubChem CID 166291813) has the molecular formula C13H16F2N4 and a molecular weight of 266.29 g/mol. Its IUPAC name is 2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile
PubChem CID166291813
Molecular FormulaC13H16F2N4
Molecular Weight266.29 g/mol
Exact Mass266.13
IUPAC Name2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile
SMILESCC1(CNc2ccnc(N)c2C#N)CCCC1(F)F
InChIInChI=1S/C13H16F2N4/c1-12(4-2-5-13(12,14)15)8-19-10-3-6-18-11(17)9(10)7-16/h3,6H,2,4-5,8H2,1H3,(H3,17,18,19)
InChIKeySGCXNGACAKXRQR-UHFFFAOYSA-N
XLogP2.77
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[(1-phenylcyclobutyl)methylamino]pyridine-3-carbonitrile
CID 166365328
2-amino-4-[[1-(2-fluorophenyl)cyclopentyl]methylamino]pyridine-3-carbonitrile
CID 166365177
2-amino-4-ethoxypyridine-3-carbonitrile
CID 13463295
2-[(1-methylcyclopentyl)methylamino]pyrimidine-4-carbonitrile
CID 107544542
2-fluoro-6-[(1-methylsulfanylcyclopropyl)methylamino]benzonitrile
CID 107269115
4-methyl-2-[(1-methylsulfanylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 107268914
3-[(1-methylcyclohexyl)methylamino]pyridine-2-carbonitrile
CID 114094936
2-bromo-6-[(1-hydroxycyclobutyl)methylamino]benzonitrile
CID 114884527
4-methyl-2-[(1-propylcyclopropyl)methylamino]pyridine-3-carbonitrile
CID 113412330
3-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carbonitrile
CID 82812965
2-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]-6-fluorobenzonitrile
CID 133491706
4-N-[[1-(dimethylamino)cyclobutyl]methyl]quinoline-4,8-diamine
CID 105413899

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile (CID 166291813) is 2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile is CC1(CNc2ccnc(N)c2C#N)CCCC1(F)F.
What is the InChIKey of 2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile?
The InChIKey is SGCXNGACAKXRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-12(4-2-5-13(12,14)15)8-19-10-3-6-18-11(17)9(10)7-16/h3,6H,2,4-5,8H2,1H3,(H3,17,18,19).
What are the key properties of 2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile?
2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile has a molecular weight of 266.29 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[(2,2-difluoro-1-methylcyclopentyl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 166291813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).