N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide

C18H17N5O2 — CID 24989038

IUPACN-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCOc1ncccc1-c1ccnc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C18H17N5O2/c1-12(24)21-13-5-3-6-14(11-13)22-18-20-10-8-16(23-18)15-7-4-9-19-17(15)25-2/h3-11H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyMDVBSGNLAATVJY-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.25
Rot. Bonds5

About N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide

N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide (PubChem CID 24989038) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide
PubChem CID24989038
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide
SMILESCOc1ncccc1-c1ccnc(Nc2cccc(NC(C)=O)c2)n1
InChIInChI=1S/C18H17N5O2/c1-12(24)21-13-5-3-6-14(11-13)22-18-20-10-8-16(23-18)15-7-4-9-19-17(15)25-2/h3-11H,1-2H3,(H,21,24)(H,20,22,23)
InChIKeyMDVBSGNLAATVJY-UHFFFAOYSA-N
XLogP3.25
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide (CID 24989038) is N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide is COc1ncccc1-c1ccnc(Nc2cccc(NC(C)=O)c2)n1.
What is the InChIKey of N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide?
The InChIKey is MDVBSGNLAATVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12(24)21-13-5-3-6-14(11-13)22-18-20-10-8-16(23-18)15-7-4-9-19-17(15)25-2/h3-11H,1-2H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide?
N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(2-methoxy-3-pyridinyl)pyrimidin-2-yl]amino]phenyl]acetamide is sourced from PubChem (CID 24989038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).