6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide

C20H19N5O3S — CID 70654610

IUPAC6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(S(=O)(=O)NC4CC4)cc3)cnc2N)nc1
InChIInChI=1S/C20H19N5O3S/c21-19-17(18-8-3-13(10-23-18)20(22)26)9-14(11-24-19)12-1-6-16(7-2-12)29(27,28)25-15-4-5-15/h1-3,6-11,15,25H,4-5H2,(H2,21,24)(H2,22,26)
InChIKeyFZYYDMSFLREKOY-UHFFFAOYSA-N
MW409.47 g/mol
LogP1.93
Rot. Bonds6

About 6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide

6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 70654610) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide
PubChem CID70654610
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2cc(-c3ccc(S(=O)(=O)NC4CC4)cc3)cnc2N)nc1
InChIInChI=1S/C20H19N5O3S/c21-19-17(18-8-3-13(10-23-18)20(22)26)9-14(11-24-19)12-1-6-16(7-2-12)29(27,28)25-15-4-5-15/h1-3,6-11,15,25H,4-5H2,(H2,21,24)(H2,22,26)
InChIKeyFZYYDMSFLREKOY-UHFFFAOYSA-N
XLogP1.93
TPSA141.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide (CID 70654610) is 6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide is NC(=O)c1ccc(-c2cc(-c3ccc(S(=O)(=O)NC4CC4)cc3)cnc2N)nc1.
What is the InChIKey of 6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is FZYYDMSFLREKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c21-19-17(18-8-3-13(10-23-18)20(22)26)9-14(11-24-19)12-1-6-16(7-2-12)29(27,28)25-15-4-5-15/h1-3,6-11,15,25H,4-5H2,(H2,21,24)(H2,22,26).
What are the key properties of 6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide?
6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 409.47 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-amino-5-[4-(cyclopropylsulfamoyl)phenyl]-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 70654610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).