6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide

C20H19ClN6O2 — CID 135385647

IUPAC6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCCNc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)NC)nc(Cl)c3C#N)cc12
InChIInChI=1S/C20H19ClN6O2/c1-4-24-14-9-18(28)27(3)17-6-5-11(7-12(14)17)25-15-8-16(20(29)23-2)26-19(21)13(15)10-22/h5-9,24H,4H2,1-3H3,(H,23,29)(H,25,26)
InChIKeyWKFDZDRXJLDYFN-UHFFFAOYSA-N
MW410.87 g/mol
LogP2.99
Rot. Bonds5

About 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide

6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide (PubChem CID 135385647) has the molecular formula C20H19ClN6O2 and a molecular weight of 410.87 g/mol. Its IUPAC name is 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide
PubChem CID135385647
Molecular FormulaC20H19ClN6O2
Molecular Weight410.87 g/mol
Exact Mass410.13
IUPAC Name6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide
SMILESCCNc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)NC)nc(Cl)c3C#N)cc12
InChIInChI=1S/C20H19ClN6O2/c1-4-24-14-9-18(28)27(3)17-6-5-11(7-12(14)17)25-15-8-16(20(29)23-2)26-19(21)13(15)10-22/h5-9,24H,4H2,1-3H3,(H,23,29)(H,25,26)
InChIKeyWKFDZDRXJLDYFN-UHFFFAOYSA-N
XLogP2.99
TPSA111.84 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.87
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide?
The IUPAC name of 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide (CID 135385647) is 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide is CCNc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)NC)nc(Cl)c3C#N)cc12.
What is the InChIKey of 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide?
The InChIKey is WKFDZDRXJLDYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O2/c1-4-24-14-9-18(28)27(3)17-6-5-11(7-12(14)17)25-15-8-16(20(29)23-2)26-19(21)13(15)10-22/h5-9,24H,4H2,1-3H3,(H,23,29)(H,25,26).
What are the key properties of 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide?
6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide has a molecular weight of 410.87 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 135385647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).