5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile

C18H16ClN5 — CID 154672796

IUPAC5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1nc(NCc2nccn2-c2ccccc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C18H16ClN5/c1-12-15(10-20)18(23-13(2)17(12)19)22-11-16-21-8-9-24(16)14-6-4-3-5-7-14/h3-9H,11H2,1-2H3,(H,22,23)
InChIKeyCVVIWDGLFTWNHC-UHFFFAOYSA-N
MW337.81 g/mol
LogP4.02
Rot. Bonds4

About 5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile

5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile (PubChem CID 154672796) has the molecular formula C18H16ClN5 and a molecular weight of 337.81 g/mol. Its IUPAC name is 5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
PubChem CID154672796
Molecular FormulaC18H16ClN5
Molecular Weight337.81 g/mol
Exact Mass337.11
IUPAC Name5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile
SMILESCc1nc(NCc2nccn2-c2ccccc2)c(C#N)c(C)c1Cl
InChIInChI=1S/C18H16ClN5/c1-12-15(10-20)18(23-13(2)17(12)19)22-11-16-21-8-9-24(16)14-6-4-3-5-7-14/h3-9H,11H2,1-2H3,(H,22,23)
InChIKeyCVVIWDGLFTWNHC-UHFFFAOYSA-N
XLogP4.02
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The IUPAC name of 5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile (CID 154672796) is 5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile is Cc1nc(NCc2nccn2-c2ccccc2)c(C#N)c(C)c1Cl.
What is the InChIKey of 5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
The InChIKey is CVVIWDGLFTWNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5/c1-12-15(10-20)18(23-13(2)17(12)19)22-11-16-21-8-9-24(16)14-6-4-3-5-7-14/h3-9H,11H2,1-2H3,(H,22,23).
What are the key properties of 5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile?
5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile has a molecular weight of 337.81 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4,6-dimethyl-2-[(1-phenylimidazol-2-yl)methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 154672796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).