N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

C17H19FN4O3 — CID 143787815

IUPACN-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCOC1=C(c2cc(NC(=O)CN3CCCC3=O)ncn2)C=C(F)CC1
InChIInChI=1S/C17H19FN4O3/c1-25-14-5-4-11(18)7-12(14)13-8-15(20-10-19-13)21-16(23)9-22-6-2-3-17(22)24/h7-8,10H,2-6,9H2,1H3,(H,19,20,21,23)
InChIKeyHKCPUXRKNRCYTQ-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.04
Rot. Bonds5

About N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 143787815) has the molecular formula C17H19FN4O3 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID143787815
Molecular FormulaC17H19FN4O3
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC NameN-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESCOC1=C(c2cc(NC(=O)CN3CCCC3=O)ncn2)C=C(F)CC1
InChIInChI=1S/C17H19FN4O3/c1-25-14-5-4-11(18)7-12(14)13-8-15(20-10-19-13)21-16(23)9-22-6-2-3-17(22)24/h7-8,10H,2-6,9H2,1H3,(H,19,20,21,23)
InChIKeyHKCPUXRKNRCYTQ-UHFFFAOYSA-N
XLogP2.04
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-(2-oxopiperidin-1-yl)acetamide
CID 59509088
N-(3-fluoro-4-methylphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9210623
N-[6-(5-fluoro-2-methoxyphenyl)pyrimidin-4-yl]-2-pyrrolidin-1-ylacetamide
CID 59509149
N-(4-methyl-2-pyridinyl)-2-(2-oxoazocan-1-yl)acetamide
CID 47265912
N-(4-fluoro-2-methoxyphenyl)-2-(2-oxopiperidin-1-yl)acetamide
CID 78864389
N-(6-fluoro-4-methoxy-1,3-benzothiazol-2-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 122157683
N-(2,4-dimethoxyphenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111322
N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
methyl 4-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]benzoate
CID 9068811
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
N-(3-methoxypropyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 94869868
2-[[2-(2-oxopyrrolidin-1-yl)acetyl]amino]-N-propan-2-ylacetamide
CID 3050861

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 143787815) is N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is COC1=C(c2cc(NC(=O)CN3CCCC3=O)ncn2)C=C(F)CC1.
What is the InChIKey of N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is HKCPUXRKNRCYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O3/c1-25-14-5-4-11(18)7-12(14)13-8-15(20-10-19-13)21-16(23)9-22-6-2-3-17(22)24/h7-8,10H,2-6,9H2,1H3,(H,19,20,21,23).
What are the key properties of N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide?
N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 346.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-fluoro-2-methoxycyclohexa-1,5-dien-1-yl)pyrimidin-4-yl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 143787815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).