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

C21H16F2N6O2 — CID 118712008

IUPACN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H16F2N6O2/c1-10-15-5-11(8-25-18(15)29-21(24)27-10)12-6-17(20(31-2)26-9-12)28-19(30)14-4-3-13(22)7-16(14)23/h3-9H,1-2H3,(H,28,30)(H2,24,25,27,29)
InChIKeyVOUKSHVJGPPYQL-UHFFFAOYSA-N
MW422.40 g/mol
LogP3.52
Rot. Bonds4

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

N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide (PubChem CID 118712008) has the molecular formula C21H16F2N6O2 and a molecular weight of 422.40 g/mol. Its IUPAC name is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide
PubChem CID118712008
Molecular FormulaC21H16F2N6O2
Molecular Weight422.40 g/mol
Exact Mass422.13
IUPAC NameN-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide
SMILESCOc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C21H16F2N6O2/c1-10-15-5-11(8-25-18(15)29-21(24)27-10)12-6-17(20(31-2)26-9-12)28-19(30)14-4-3-13(22)7-16(14)23/h3-9H,1-2H3,(H,28,30)(H2,24,25,27,29)
InChIKeyVOUKSHVJGPPYQL-UHFFFAOYSA-N
XLogP3.52
TPSA115.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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]-2,4-difluorobenzamide?
The IUPAC name of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide (CID 118712008) is N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide?
The canonical SMILES for N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide is COc1ncc(-c2cnc3nc(N)nc(C)c3c2)cc1NC(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide?
The InChIKey is VOUKSHVJGPPYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N6O2/c1-10-15-5-11(8-25-18(15)29-21(24)27-10)12-6-17(20(31-2)26-9-12)28-19(30)14-4-3-13(22)7-16(14)23/h3-9H,1-2H3,(H,28,30)(H2,24,25,27,29).
What are the key properties of N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide?
N-[5-(2-amino-4-methylpyrido[2,3-d]pyrimidin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzamide has a molecular weight of 422.40 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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]-2,4-difluorobenzamide is sourced from PubChem (CID 118712008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).