6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid

C19H16ClN5O3 — CID 135385334

IUPAC6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid
SMILESCCNc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)O)nc(Cl)c3C#N)cc12
InChIInChI=1S/C19H16ClN5O3/c1-3-22-13-8-17(26)25(2)16-5-4-10(6-11(13)16)23-14-7-15(19(27)28)24-18(20)12(14)9-21/h4-8,22H,3H2,1-2H3,(H,23,24)(H,27,28)
InChIKeyMRBJUWKSOGCWDO-UHFFFAOYSA-N
MW397.82 g/mol
LogP3.33
Rot. Bonds5

About 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid

6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid (PubChem CID 135385334) has the molecular formula C19H16ClN5O3 and a molecular weight of 397.82 g/mol. Its IUPAC name is 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid
PubChem CID135385334
Molecular FormulaC19H16ClN5O3
Molecular Weight397.82 g/mol
Exact Mass397.09
IUPAC Name6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid
SMILESCCNc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)O)nc(Cl)c3C#N)cc12
InChIInChI=1S/C19H16ClN5O3/c1-3-22-13-8-17(26)25(2)16-5-4-10(6-11(13)16)23-14-7-15(19(27)28)24-18(20)12(14)9-21/h4-8,22H,3H2,1-2H3,(H,23,24)(H,27,28)
InChIKeyMRBJUWKSOGCWDO-UHFFFAOYSA-N
XLogP3.33
TPSA120.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.82
LogP ≤ 53.33
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]pyridine-2-carboxylic acid?
The IUPAC name of 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid (CID 135385334) is 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid is CCNc1cc(=O)n(C)c2ccc(Nc3cc(C(=O)O)nc(Cl)c3C#N)cc12.
What is the InChIKey of 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid?
The InChIKey is MRBJUWKSOGCWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN5O3/c1-3-22-13-8-17(26)25(2)16-5-4-10(6-11(13)16)23-14-7-15(19(27)28)24-18(20)12(14)9-21/h4-8,22H,3H2,1-2H3,(H,23,24)(H,27,28).
What are the key properties of 6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid?
6-chloro-5-cyano-4-[[4-(ethylamino)-1-methyl-2-oxoquinolin-6-yl]amino]pyridine-2-carboxylic acid has a molecular weight of 397.82 g/mol, XLogP of 3.33, 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]pyridine-2-carboxylic acid is sourced from PubChem (CID 135385334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).