2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile

C10H13ClN4 — CID 107061368

IUPAC2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
SMILESCC(C)(N)CNc1nccc(C#N)c1Cl
InChIInChI=1S/C10H13ClN4/c1-10(2,13)6-15-9-8(11)7(5-12)3-4-14-9/h3-4H,6,13H2,1-2H3,(H,14,15)
InChIKeyNZRULVMDCUXQHL-UHFFFAOYSA-N
MW224.70 g/mol
LogP1.76
Rot. Bonds3

About 2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile

2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile (PubChem CID 107061368) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is 2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
PubChem CID107061368
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile
SMILESCC(C)(N)CNc1nccc(C#N)c1Cl
InChIInChI=1S/C10H13ClN4/c1-10(2,13)6-15-9-8(11)7(5-12)3-4-14-9/h3-4H,6,13H2,1-2H3,(H,14,15)
InChIKeyNZRULVMDCUXQHL-UHFFFAOYSA-N
XLogP1.76
TPSA74.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-[(2-hydroxy-2-methylpentyl)amino]pyridine-4-carbonitrile
CID 106290624
2-[(2-amino-2-methylpropyl)amino]pyridine-3-carbonitrile
CID 78954580
3-chloro-2-(2-methylsulfinylethylamino)pyridine-4-carbonitrile
CID 107058420
2-[(2-amino-3-methylbutyl)amino]-3-chloropyridine-4-carbonitrile
CID 107061307
N-[2-[(3-chloro-4-cyano-2-pyridinyl)amino]ethyl]methanesulfonamide
CID 107056968
3-chloro-2-(prop-2-enylamino)pyridine-4-carbonitrile
CID 107056845
3-chloro-2-[[4-(trifluoromethyl)phenyl]methylamino]pyridine-4-carbonitrile
CID 107057599
3-chloro-2-[(5-methylpyrazin-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057587
3-chloro-2-(1,3-thiazol-4-ylmethylamino)pyridine-4-carbonitrile
CID 107057764
3-chloro-2-[(4-methoxyphenyl)methylamino]pyridine-4-carbonitrile
CID 107056731
3-chloro-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]pyridine-4-carbonitrile
CID 107057231
3-chloro-2-(propan-2-ylamino)pyridine-4-carbonitrile
CID 107056636

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile?
The IUPAC name of 2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile (CID 107061368) is 2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile.
What is the SMILES notation for 2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile?
The canonical SMILES for 2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile is CC(C)(N)CNc1nccc(C#N)c1Cl.
What is the InChIKey of 2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile?
The InChIKey is NZRULVMDCUXQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-10(2,13)6-15-9-8(11)7(5-12)3-4-14-9/h3-4H,6,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile?
2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile has a molecular weight of 224.70 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-methylpropyl)amino]-3-chloropyridine-4-carbonitrile is sourced from PubChem (CID 107061368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).