6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide

C22H22N4O3 — CID 134131601

IUPAC6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCCCCNc3ccc(C#N)cn3)ccc12
InChIInChI=1S/C22H22N4O3/c1-15-11-22(28)29-19-12-17(7-8-18(15)19)26-21(27)5-3-2-4-10-24-20-9-6-16(13-23)14-25-20/h6-9,11-12,14H,2-5,10H2,1H3,(H,24,25)(H,26,27)
InChIKeyWXJHENPKDQKKDD-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.98
Rot. Bonds8

About 6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide

6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide (PubChem CID 134131601) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide.

Molecular Properties

Compound Name6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide
PubChem CID134131601
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CCCCCNc3ccc(C#N)cn3)ccc12
InChIInChI=1S/C22H22N4O3/c1-15-11-22(28)29-19-12-17(7-8-18(15)19)26-21(27)5-3-2-4-10-24-20-9-6-16(13-23)14-25-20/h6-9,11-12,14H,2-5,10H2,1H3,(H,24,25)(H,26,27)
InChIKeyWXJHENPKDQKKDD-UHFFFAOYSA-N
XLogP3.98
TPSA108.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide?
The IUPAC name of 6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide (CID 134131601) is 6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide.
What is the SMILES notation for 6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide?
The canonical SMILES for 6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide is Cc1cc(=O)oc2cc(NC(=O)CCCCCNc3ccc(C#N)cn3)ccc12.
What is the InChIKey of 6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide?
The InChIKey is WXJHENPKDQKKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-15-11-22(28)29-19-12-17(7-8-18(15)19)26-21(27)5-3-2-4-10-24-20-9-6-16(13-23)14-25-20/h6-9,11-12,14H,2-5,10H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide?
6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide has a molecular weight of 390.44 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-cyano-2-pyridinyl)amino]-N-(4-methyl-2-oxochromen-7-yl)hexanamide is sourced from PubChem (CID 134131601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).