N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide

C20H20FN5O3S — CID 90154290

IUPACN-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C20H20FN5O3S/c1-3-22-20(27)14-12-24-19(26-18-9-8-13(21)11-23-18)10-16(14)25-15-6-4-5-7-17(15)30(2,28)29/h4-12H,3H2,1-2H3,(H,22,27)(H2,23,24,25,26)
InChIKeyFQHPPRFIKIDMSI-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.26
Rot. Bonds7

About N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide

N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide (PubChem CID 90154290) has the molecular formula C20H20FN5O3S and a molecular weight of 429.48 g/mol. Its IUPAC name is N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
PubChem CID90154290
Molecular FormulaC20H20FN5O3S
Molecular Weight429.48 g/mol
Exact Mass429.13
IUPAC NameN-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C20H20FN5O3S/c1-3-22-20(27)14-12-24-19(26-18-9-8-13(21)11-23-18)10-16(14)25-15-6-4-5-7-17(15)30(2,28)29/h4-12H,3H2,1-2H3,(H,22,27)(H2,23,24,25,26)
InChIKeyFQHPPRFIKIDMSI-UHFFFAOYSA-N
XLogP3.26
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide (CID 90154290) is N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide is CCNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The InChIKey is FQHPPRFIKIDMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O3S/c1-3-22-20(27)14-12-24-19(26-18-9-8-13(21)11-23-18)10-16(14)25-15-6-4-5-7-17(15)30(2,28)29/h4-12H,3H2,1-2H3,(H,22,27)(H2,23,24,25,26).
What are the key properties of N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[(5-fluoro-2-pyridinyl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 90154290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).