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N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

C17H18N6O3S — CID 118712086

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C17H18N6O3S/c1-9-13-5-10(7-19-15(13)22-17(18)21-9)11-6-14(16(26-2)20-8-11)23-27(24,25)12-3-4-12/h5-8,12,23H,3-4H2,1-2H3,(H2,18,19,21,22)
InChIKeyMGZZCPLVHSEOHM-UHFFFAOYSA-N
MW386.44 g/mol
LogP1.89
Rot. Bonds5

About N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide

N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (PubChem CID 118712086) has the molecular formula C17H18N6O3S and a molecular weight of 386.44 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
PubChem CID118712086
Molecular FormulaC17H18N6O3S
Molecular Weight386.44 g/mol
Exact Mass386.12
IUPAC NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)C1CC1
InChIInChI=1S/C17H18N6O3S/c1-9-13-5-10(7-19-15(13)22-17(18)21-9)11-6-14(16(26-2)20-8-11)23-27(24,25)12-3-4-12/h5-8,12,23H,3-4H2,1-2H3,(H2,18,19,21,22)
InChIKeyMGZZCPLVHSEOHM-UHFFFAOYSA-N
XLogP1.89
TPSA132.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.44
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide (CID 118712086) is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide.
What is the SMILES notation for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NS(=O)(=O)C1CC1.
What is the InChIKey of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
The InChIKey is MGZZCPLVHSEOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O3S/c1-9-13-5-10(7-19-15(13)22-17(18)21-9)11-6-14(16(26-2)20-8-11)23-27(24,25)12-3-4-12/h5-8,12,23H,3-4H2,1-2H3,(H2,18,19,21,22).
What are the key properties of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide?
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide has a molecular weight of 386.44 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]cyclopropanesulfonamide is sourced from PubChem (CID 118712086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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