N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide

C18H17N5O2 — CID 117089476

IUPACN-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(-c2nccc(Nc3ccc(NC(C)=O)cc3)n2)cn1
InChIInChI=1S/C18H17N5O2/c1-12(24)21-14-4-6-15(7-5-14)22-16-9-10-19-18(23-16)13-3-8-17(25-2)20-11-13/h3-11H,1-2H3,(H,21,24)(H,19,22,23)
InChIKeyDNAPXAITNTVUMF-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.25
Rot. Bonds5

About N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 117089476) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID117089476
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCOc1ccc(-c2nccc(Nc3ccc(NC(C)=O)cc3)n2)cn1
InChIInChI=1S/C18H17N5O2/c1-12(24)21-14-4-6-15(7-5-14)22-16-9-10-19-18(23-16)13-3-8-17(25-2)20-11-13/h3-11H,1-2H3,(H,21,24)(H,19,22,23)
InChIKeyDNAPXAITNTVUMF-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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Related Compounds

2-(6-methoxy-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-4-amine
CID 117088664
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-methoxyphenyl)benzamide
CID 53078296
N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905696
N-(2-methoxyphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078224
2-(6-methoxy-3-pyridinyl)-6-methyl-N-phenylpyrimidin-4-amine
CID 117090011
N-(4-chlorophenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078235
N-[4-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117094486
N-(3,5-dimethylphenyl)-4-[[2-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 53078214
N-[4-[[6-(4-methoxyanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866239
ethyl 4-[(2-pyridin-3-ylpyrimidin-4-yl)amino]benzoate
CID 90353161
N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53006978
N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086885

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide (CID 117089476) is N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide is COc1ccc(-c2nccc(Nc3ccc(NC(C)=O)cc3)n2)cn1.
What is the InChIKey of N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is DNAPXAITNTVUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12(24)21-14-4-6-15(7-5-14)22-16-9-10-19-18(23-16)13-3-8-17(25-2)20-11-13/h3-11H,1-2H3,(H,21,24)(H,19,22,23).
What are the key properties of N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-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-[4-[[2-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 117089476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).