3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile

C19H17N5O — CID 11370949

IUPAC3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile
SMILESCCOc1cc(-c2cccnc2C#N)cnc1Nc1cccc(C)n1
InChIInChI=1S/C19H17N5O/c1-3-25-17-10-14(15-7-5-9-21-16(15)11-20)12-22-19(17)24-18-8-4-6-13(2)23-18/h4-10,12H,3H2,1-2H3,(H,22,23,24)
InChIKeyTVBMAKDCTVEZHT-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.86
Rot. Bonds5

About 3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile

3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile (PubChem CID 11370949) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile
PubChem CID11370949
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile
SMILESCCOc1cc(-c2cccnc2C#N)cnc1Nc1cccc(C)n1
InChIInChI=1S/C19H17N5O/c1-3-25-17-10-14(15-7-5-9-21-16(15)11-20)12-22-19(17)24-18-8-4-6-13(2)23-18/h4-10,12H,3H2,1-2H3,(H,22,23,24)
InChIKeyTVBMAKDCTVEZHT-UHFFFAOYSA-N
XLogP3.86
TPSA83.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile (CID 11370949) is 3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile is CCOc1cc(-c2cccnc2C#N)cnc1Nc1cccc(C)n1.
What is the InChIKey of 3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile?
The InChIKey is TVBMAKDCTVEZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-3-25-17-10-14(15-7-5-9-21-16(15)11-20)12-22-19(17)24-18-8-4-6-13(2)23-18/h4-10,12H,3H2,1-2H3,(H,22,23,24).
What are the key properties of 3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile?
3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile has a molecular weight of 331.38 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-ethoxy-6-[(6-methyl-2-pyridinyl)amino]-3-pyridinyl]pyridine-2-carbonitrile is sourced from PubChem (CID 11370949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).