4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide

C15H16N4O3 — CID 56944157

IUPAC4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2ccncn2)ccc1OC
InChIInChI=1S/C15H16N4O3/c1-3-14(20)18-11-8-10(4-5-12(11)22-2)15(21)19-13-6-7-16-9-17-13/h4-9H,3H2,1-2H3,(H,18,20)(H,16,17,19,21)
InChIKeyKXIACTVEEIILFF-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.09
Rot. Bonds5

About 4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide

4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide (PubChem CID 56944157) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide.

Molecular Properties

Compound Name4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide
PubChem CID56944157
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide
SMILESCCC(=O)Nc1cc(C(=O)Nc2ccncn2)ccc1OC
InChIInChI=1S/C15H16N4O3/c1-3-14(20)18-11-8-10(4-5-12(11)22-2)15(21)19-13-6-7-16-9-17-13/h4-9H,3H2,1-2H3,(H,18,20)(H,16,17,19,21)
InChIKeyKXIACTVEEIILFF-UHFFFAOYSA-N
XLogP2.09
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-nitro-N-pyrimidin-4-ylbenzamide
CID 56944158
N-(3-hydroxyphenyl)-4-methoxy-3-(propanoylamino)benzamide
CID 25255327
N-[2,5-dimethoxy-4-(propanoylamino)phenyl]propanamide
CID 146415874
N-(5-ethyl-2-methoxyphenyl)propanamide
CID 110777230
N-(2-methoxy-5-methylphenyl)-4-(propanoylamino)benzamide
CID 2985570
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
N-pyrimidin-4-ylbutanamide
CID 130272746
N-[2-chloro-5-(propanoylamino)phenyl]-4-ethoxy-3-methoxybenzamide
CID 55799038
N-[2-methoxy-5-(morpholine-4-carbonyl)phenyl]propanamide
CID 50875914
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
3-[(2-cyanoacetyl)amino]-4-methoxy-N-methylbenzamide
CID 168521072
4-methoxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63744788

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide?
The IUPAC name of 4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide (CID 56944157) is 4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide.
What is the SMILES notation for 4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide?
The canonical SMILES for 4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide is CCC(=O)Nc1cc(C(=O)Nc2ccncn2)ccc1OC.
What is the InChIKey of 4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide?
The InChIKey is KXIACTVEEIILFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-3-14(20)18-11-8-10(4-5-12(11)22-2)15(21)19-13-6-7-16-9-17-13/h4-9H,3H2,1-2H3,(H,18,20)(H,16,17,19,21).
What are the key properties of 4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide?
4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide has a molecular weight of 300.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-(propanoylamino)-N-pyrimidin-4-ylbenzamide is sourced from PubChem (CID 56944157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).