6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile

C18H17N5O — CID 41015325

IUPAC6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
SMILESCOc1ccccc1[C@H](Nc1ccc(C#N)cn1)c1nccn1C
InChIInChI=1S/C18H17N5O/c1-23-10-9-20-18(23)17(14-5-3-4-6-15(14)24-2)22-16-8-7-13(11-19)12-21-16/h3-10,12,17H,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyOROCMCBFCRAMQN-KRWDZBQOSA-N
MW319.37 g/mol
LogP2.90
Rot. Bonds5

About 6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile

6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile (PubChem CID 41015325) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
PubChem CID41015325
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile
SMILESCOc1ccccc1[C@H](Nc1ccc(C#N)cn1)c1nccn1C
InChIInChI=1S/C18H17N5O/c1-23-10-9-20-18(23)17(14-5-3-4-6-15(14)24-2)22-16-8-7-13(11-19)12-21-16/h3-10,12,17H,1-2H3,(H,21,22)/t17-/m0/s1
InChIKeyOROCMCBFCRAMQN-KRWDZBQOSA-N
XLogP2.90
TPSA75.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile (CID 41015325) is 6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile is COc1ccccc1[C@H](Nc1ccc(C#N)cn1)c1nccn1C.
What is the InChIKey of 6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile?
The InChIKey is OROCMCBFCRAMQN-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17N5O/c1-23-10-9-20-18(23)17(14-5-3-4-6-15(14)24-2)22-16-8-7-13(11-19)12-21-16/h3-10,12,17H,1-2H3,(H,21,22)/t17-/m0/s1.
What are the key properties of 6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile?
6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile has a molecular weight of 319.37 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(S)-(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 41015325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).