N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide

C19H20N6O4S — CID 167160749

IUPACN-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc2c(NCc3ccc(S(N)(=O)=O)cn3)c(NC(=O)C3CC3)cnc2n1
InChIInChI=1S/C19H20N6O4S/c1-29-16-7-6-14-17(22-8-12-4-5-13(9-21-12)30(20,27)28)15(10-23-18(14)25-16)24-19(26)11-2-3-11/h4-7,9-11H,2-3,8H2,1H3,(H,24,26)(H2,20,27,28)(H,22,23,25)
InChIKeyZLPNICHGPSVXNO-UHFFFAOYSA-N
MW428.47 g/mol
LogP1.64
Rot. Bonds7

About N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide

N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 167160749) has the molecular formula C19H20N6O4S and a molecular weight of 428.47 g/mol. Its IUPAC name is N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID167160749
Molecular FormulaC19H20N6O4S
Molecular Weight428.47 g/mol
Exact Mass428.13
IUPAC NameN-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCOc1ccc2c(NCc3ccc(S(N)(=O)=O)cn3)c(NC(=O)C3CC3)cnc2n1
InChIInChI=1S/C19H20N6O4S/c1-29-16-7-6-14-17(22-8-12-4-5-13(9-21-12)30(20,27)28)15(10-23-18(14)25-16)24-19(26)11-2-3-11/h4-7,9-11H,2-3,8H2,1H3,(H,24,26)(H2,20,27,28)(H,22,23,25)
InChIKeyZLPNICHGPSVXNO-UHFFFAOYSA-N
XLogP1.64
TPSA149.19 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide (CID 167160749) is N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide is COc1ccc2c(NCc3ccc(S(N)(=O)=O)cn3)c(NC(=O)C3CC3)cnc2n1.
What is the InChIKey of N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is ZLPNICHGPSVXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4S/c1-29-16-7-6-14-17(22-8-12-4-5-13(9-21-12)30(20,27)28)15(10-23-18(14)25-16)24-19(26)11-2-3-11/h4-7,9-11H,2-3,8H2,1H3,(H,24,26)(H2,20,27,28)(H,22,23,25).
What are the key properties of N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 428.47 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-methoxy-4-[(5-sulfamoyl-2-pyridinyl)methylamino]-1,8-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 167160749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).