N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine

C18H19N5O2S — CID 170414698

IUPACN-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine
SMILES[H]N=S(=O)(NC1CC1)c1ccc(Nc2ccnc3c(OC)nccc23)cc1
InChIInChI=1S/C18H19N5O2S/c1-25-18-17-15(8-10-21-18)16(9-11-20-17)22-12-4-6-14(7-5-12)26(19,24)23-13-2-3-13/h4-11,13H,2-3H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyYHFQGLHXGNPVIG-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.45
Rot. Bonds6

About N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine

N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine (PubChem CID 170414698) has the molecular formula C18H19N5O2S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine
PubChem CID170414698
Molecular FormulaC18H19N5O2S
Molecular Weight369.45 g/mol
Exact Mass369.13
IUPAC NameN-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine
SMILES[H]N=S(=O)(NC1CC1)c1ccc(Nc2ccnc3c(OC)nccc23)cc1
InChIInChI=1S/C18H19N5O2S/c1-25-18-17-15(8-10-21-18)16(9-11-20-17)22-12-4-6-14(7-5-12)26(19,24)23-13-2-3-13/h4-11,13H,2-3H2,1H3,(H,20,22)(H2,19,23,24)
InChIKeyYHFQGLHXGNPVIG-UHFFFAOYSA-N
XLogP3.45
TPSA99.99 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine?
The IUPAC name of N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine (CID 170414698) is N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine.
What is the SMILES notation for N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine?
The canonical SMILES for N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine is [H]N=S(=O)(NC1CC1)c1ccc(Nc2ccnc3c(OC)nccc23)cc1.
What is the InChIKey of N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine?
The InChIKey is YHFQGLHXGNPVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2S/c1-25-18-17-15(8-10-21-18)16(9-11-20-17)22-12-4-6-14(7-5-12)26(19,24)23-13-2-3-13/h4-11,13H,2-3H2,1H3,(H,20,22)(H2,19,23,24).
What are the key properties of N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine?
N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine has a molecular weight of 369.45 g/mol, XLogP of 3.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)sulfonimidoyl]phenyl]-8-methoxy-1,7-naphthyridin-4-amine is sourced from PubChem (CID 170414698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).