3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile

C12H14ClN3O — CID 107057512

IUPAC3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile
SMILESCOC1CCCC1Nc1nccc(C#N)c1Cl
InChIInChI=1S/C12H14ClN3O/c1-17-10-4-2-3-9(10)16-12-11(13)8(7-14)5-6-15-12/h5-6,9-10H,2-4H2,1H3,(H,15,16)
InChIKeyACDDNYCEZYOFEJ-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.59
Rot. Bonds3

About 3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile

3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile (PubChem CID 107057512) has the molecular formula C12H14ClN3O and a molecular weight of 251.72 g/mol. Its IUPAC name is 3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile
PubChem CID107057512
Molecular FormulaC12H14ClN3O
Molecular Weight251.72 g/mol
Exact Mass251.08
IUPAC Name3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile
SMILESCOC1CCCC1Nc1nccc(C#N)c1Cl
InChIInChI=1S/C12H14ClN3O/c1-17-10-4-2-3-9(10)16-12-11(13)8(7-14)5-6-15-12/h5-6,9-10H,2-4H2,1H3,(H,15,16)
InChIKeyACDDNYCEZYOFEJ-UHFFFAOYSA-N
XLogP2.59
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile (CID 107057512) is 3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile is COC1CCCC1Nc1nccc(C#N)c1Cl.
What is the InChIKey of 3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile?
The InChIKey is ACDDNYCEZYOFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O/c1-17-10-4-2-3-9(10)16-12-11(13)8(7-14)5-6-15-12/h5-6,9-10H,2-4H2,1H3,(H,15,16).
What are the key properties of 3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile?
3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile has a molecular weight of 251.72 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2-methoxycyclopentyl)amino]pyridine-4-carbonitrile is sourced from PubChem (CID 107057512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).