4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile

C19H21N5O3 — CID 70924988

IUPAC4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile
SMILESCCOc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)cc(N)c1C#N
InChIInChI=1S/C19H21N5O3/c1-2-27-18-15(12-20)16(21)11-17(23-18)22-14-5-3-13(4-6-14)19(25)24-7-9-26-10-8-24/h3-6,11H,2,7-10H2,1H3,(H3,21,22,23)
InChIKeyNDTNYUTUYXTECT-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.15
Rot. Bonds5

About 4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile

4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile (PubChem CID 70924988) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile
PubChem CID70924988
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile
SMILESCCOc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)cc(N)c1C#N
InChIInChI=1S/C19H21N5O3/c1-2-27-18-15(12-20)16(21)11-17(23-18)22-14-5-3-13(4-6-14)19(25)24-7-9-26-10-8-24/h3-6,11H,2,7-10H2,1H3,(H3,21,22,23)
InChIKeyNDTNYUTUYXTECT-UHFFFAOYSA-N
XLogP2.15
TPSA113.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile (CID 70924988) is 4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile is CCOc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2)cc(N)c1C#N.
What is the InChIKey of 4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile?
The InChIKey is NDTNYUTUYXTECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-2-27-18-15(12-20)16(21)11-17(23-18)22-14-5-3-13(4-6-14)19(25)24-7-9-26-10-8-24/h3-6,11H,2,7-10H2,1H3,(H3,21,22,23).
What are the key properties of 4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile?
4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile has a molecular weight of 367.41 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-ethoxy-6-[4-(morpholine-4-carbonyl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 70924988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).