N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C22H18N6O3 — CID 135344925

IUPACN-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCc1cc2c(cc1-c1cc3cc(NC(=O)C4CC4C#N)ncc3c(N)n1)C(O)C(=O)N2
InChIInChI=1S/C22H18N6O3/c1-9-2-16-14(19(29)22(31)27-16)6-12(9)17-4-10-5-18(25-8-15(10)20(24)26-17)28-21(30)13-3-11(13)7-23/h2,4-6,8,11,13,19,29H,3H2,1H3,(H2,24,26)(H,27,31)(H,25,28,30)
InChIKeyQQHRWTIORHEZHD-UHFFFAOYSA-N
MW414.43 g/mol
LogP2.27
Rot. Bonds3

About N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 135344925) has the molecular formula C22H18N6O3 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID135344925
Molecular FormulaC22H18N6O3
Molecular Weight414.43 g/mol
Exact Mass414.14
IUPAC NameN-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCc1cc2c(cc1-c1cc3cc(NC(=O)C4CC4C#N)ncc3c(N)n1)C(O)C(=O)N2
InChIInChI=1S/C22H18N6O3/c1-9-2-16-14(19(29)22(31)27-16)6-12(9)17-4-10-5-18(25-8-15(10)20(24)26-17)28-21(30)13-3-11(13)7-23/h2,4-6,8,11,13,19,29H,3H2,1H3,(H2,24,26)(H,27,31)(H,25,28,30)
InChIKeyQQHRWTIORHEZHD-UHFFFAOYSA-N
XLogP2.27
TPSA154.02 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 135344925) is N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is Cc1cc2c(cc1-c1cc3cc(NC(=O)C4CC4C#N)ncc3c(N)n1)C(O)C(=O)N2.
What is the InChIKey of N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is QQHRWTIORHEZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6O3/c1-9-2-16-14(19(29)22(31)27-16)6-12(9)17-4-10-5-18(25-8-15(10)20(24)26-17)28-21(30)13-3-11(13)7-23/h2,4-6,8,11,13,19,29H,3H2,1H3,(H2,24,26)(H,27,31)(H,25,28,30).
What are the key properties of N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 414.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-amino-6-(3-hydroxy-6-methyl-2-oxo-1,3-dihydroindol-5-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 135344925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).