5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide

C20H16N6O3S — CID 67102027

IUPAC5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc3c2)cn1
InChIInChI=1S/C20H16N6O3S/c21-19(27)17-8-3-13(10-23-17)12-1-2-14-11-24-20(26-18(14)9-12)25-15-4-6-16(7-5-15)30(22,28)29/h1-11H,(H2,21,27)(H2,22,28,29)(H,24,25,26)
InChIKeyYVBSTIKHFGBFPN-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.18
Rot. Bonds5

About 5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide

5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide (PubChem CID 67102027) has the molecular formula C20H16N6O3S and a molecular weight of 420.45 g/mol. Its IUPAC name is 5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide
PubChem CID67102027
Molecular FormulaC20H16N6O3S
Molecular Weight420.45 g/mol
Exact Mass420.10
IUPAC Name5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide
SMILESNC(=O)c1ccc(-c2ccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc3c2)cn1
InChIInChI=1S/C20H16N6O3S/c21-19(27)17-8-3-13(10-23-17)12-1-2-14-11-24-20(26-18(14)9-12)25-15-4-6-16(7-5-15)30(22,28)29/h1-11H,(H2,21,27)(H2,22,28,29)(H,24,25,26)
InChIKeyYVBSTIKHFGBFPN-UHFFFAOYSA-N
XLogP2.18
TPSA153.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide (CID 67102027) is 5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide is NC(=O)c1ccc(-c2ccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc3c2)cn1.
What is the InChIKey of 5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide?
The InChIKey is YVBSTIKHFGBFPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3S/c21-19(27)17-8-3-13(10-23-17)12-1-2-14-11-24-20(26-18(14)9-12)25-15-4-6-16(7-5-15)30(22,28)29/h1-11H,(H2,21,27)(H2,22,28,29)(H,24,25,26).
What are the key properties of 5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide?
5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-sulfamoylanilino)quinazolin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 67102027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).